Geometry & MOs

Info

ID:	242781
PubChem CID:	99206267
Reduced:	SN2O3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	438.170333
ΔH_f, kcal/mol:	-64.93
Dipole, Da:	1.22
IP(EA), eV:	-8.74(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-nitro-4-[[(1S)-1-pyridin-2-ylethyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)C2=CC=C(C=C2)CN3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations