Geometry & MOs

Info

ID:	300063
PubChem CID:	119526644
Reduced:	OCl2N2C16H26 (1)
Stoich.:	AB2C2D16E26 (1)
Weight, g/mol:	435.174726
ΔH_f, kcal/mol:	-105.47
Dipole, Da:	3.94
IP(EA), eV:	-9.46(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(CNC(=O)CCC=C)N.Cl.Cl

DOS

IR

Vibrations