Geometry & MOs

Info

ID:	152312
PubChem CID:	56311218
Reduced:	ClSO2N3C22H22 (1)
Stoich.:	ABC2D3E22F22 (1)
Weight, g/mol:	496.13359
ΔH_f, kcal/mol:	-13.76
Dipole, Da:	7.0
IP(EA), eV:	-8.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[4-(3-chlorobenzoyl)-1,4-diazepan-1-yl]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)Cl)N(C)CC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CS3

DOS

IR

Vibrations