Geometry & MOs

Info

ID:	122742
PubChem CID:	50820057
Reduced:	ClN3O4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	428.161518
ΔH_f, kcal/mol:	-120.76
Dipole, Da:	5.47
IP(EA), eV:	-8.9(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[N-(4-chloro-2-methylphenyl)-N'-(oxolan-2-ylmethyl)carbamimidoyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=NCC2CCCO2)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations