Geometry & MOs

Info

ID:	273360
PubChem CID:	103770962
Reduced:	ClNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	292.178693
ΔH_f, kcal/mol:	-100.51
Dipole, Da:	2.24
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-hydroxy-4-methylpentyl)amino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CSC1=CC=C(C=C1)Cl)O

DOS

IR

Vibrations