Geometry & MOs

Info

ID:	273258
PubChem CID:	103770781
Reduced:	NCl2O2C15H21 (1)
Stoich.:	AB2C2D15E21 (1)
Weight, g/mol:	262.135114
ΔH_f, kcal/mol:	-123.38
Dipole, Da:	1.72
IP(EA), eV:	-9.65(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-2-oxoethyl)sulfanyl-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)CCC1=C(C=C(C=C1)Cl)Cl)O

DOS

IR

Vibrations