Geometry & MOs

Info

ID:	281582
PubChem CID:	103914075
Reduced:	NS2O3C9H21 (1)
Stoich.:	AB2C3D9E21 (1)
Weight, g/mol:	314.13972
ΔH_f, kcal/mol:	-157.37
Dipole, Da:	5.3
IP(EA), eV:	-8.25(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(4-chlorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NCC(C)(CSC)O

DOS

IR

Vibrations