Geometry & MOs

Info

ID:	423354
PubChem CID:	135119351
Reduced:	FNO3C15H20 (1)
Stoich.:	ABC3D15E20 (1)
Weight, g/mol:	737.300696
ΔH_f, kcal/mol:	-173.86
Dipole, Da:	3.41
IP(EA), eV:	-9.77(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-(4-fluoro-3-methoxybenzoyl)-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

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

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC=CC=C2F

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

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):