Geometry & MOs

Info

ID:	342146
PubChem CID:	127264859
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	311.128821
ΔH_f, kcal/mol:	-4.43
Dipole, Da:	4.71
IP(EA), eV:	-8.39(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-2-hydroxy-N-(1-hydroxyhex-4-en-2-yl)butanamide

Drug info:

PubChemData

Smile

CC(CS(=O)C)N(C)CC(=CC1=CC=CC=C1)C

DOS

IR

Vibrations