Geometry & MOs

Info

ID:	244727
PubChem CID:	99381204
Reduced:	ClO3N5C18H24 (1)
Stoich.:	AB3C5D18E24 (1)
Weight, g/mol:	430.140783
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	5.4
IP(EA), eV:	-9.04(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-4-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)NC2=CC(=CC=C2)Cl)C(=O)CNC(=O)NC3CC3

DOS

IR

Vibrations