Geometry & MOs

Info

ID:	431606
PubChem CID:	135171694
Reduced:	SF3O3N4C25H35 (1)
Stoich.:	AB3C3D4E25F35 (1)
Weight, g/mol:	855.345154
ΔH_f, kcal/mol:	-252.15
Dipole, Da:	7.0
IP(EA), eV:	-8.66(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14R,16S)-7-acetyl-22-chloro-3-diethoxyphosphoryl-14,21-difluoro-8,9,12,18,36,38,41-heptazahexacyclo[35.2.2.12,6.120,24.05,9.012,16]tritetraconta-1(39),2,4,6(43),7,20,22,24(42),37,40-decaene-11,17-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCC(CC2)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):