Geometry & MOs

Info

ID:	273418
PubChem CID:	103771082
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	315.105978
ΔH_f, kcal/mol:	-110.51
Dipole, Da:	3.09
IP(EA), eV:	-8.9(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methylsulfanyl]-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CSCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations