Geometry & MOs

Info

ID:	272673
PubChem CID:	103751051
Reduced:	ClNSO2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	343.07831
ΔH_f, kcal/mol:	-98.39
Dipole, Da:	5.47
IP(EA), eV:	-8.71(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(CCO)NC(=O)CSC1=CC=CC=C1Cl

DOS

IR

Vibrations