Geometry & MOs

Info

ID:	280695
PubChem CID:	103850753
Reduced:	NSO3C8H17 (1)
Stoich.:	ABC3D8E17 (1)
Weight, g/mol:	283.214744
ΔH_f, kcal/mol:	-146.97
Dipole, Da:	2.8
IP(EA), eV:	-8.9(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

COCC(CCO)NC(=O)CSC

DOS

IR

Vibrations