Geometry & MOs

Info

ID:	273389
PubChem CID:	103771010
Reduced:	NOSC7H12 (2)
Stoich.:	ABCD7E12 (2)
Weight, g/mol:	247.1606
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	2.17
IP(EA), eV:	-8.68(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butylsulfanyl-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSCCC(=O)NCC(CC(C)C)O

DOS

IR

Vibrations