Geometry & MOs

Info

ID:	150112
PubChem CID:	53789798
Reduced:	NOC4H7 (2)
Stoich.:	ABC4D7 (2)
Weight, g/mol:	377.253455
ΔH_f, kcal/mol:	-104.77
Dipole, Da:	3.46
IP(EA), eV:	-9.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[[2-hydroxy-7-methyl-2-(propylamino)-7-sulfanyloctyl]-propylamino]methyl]ethanethioamide

Drug info:

PubChemData

Smile

CCC1CC(=O)N(C1=O)CCN

DOS

IR

Vibrations