Geometry & MOs

Info

ID:	420018
PubChem CID:	135110801
Reduced:	F2N2O3C21H22 (1)
Stoich.:	A2B2C3D21E22 (1)
Weight, g/mol:	528.28826
ΔH_f, kcal/mol:	-181.08
Dipole, Da:	6.3
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17S)-21-methyl-11-(3-methylbut-2-enyl)-17-(2-methylsulfanylethyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-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

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F)OCC2

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

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)NC4=C(C=C(C=C4)F)F)OCC2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):