Geometry & MOs

Info

ID:	202169
PubChem CID:	79637897
Reduced:	NSO2C13H25 (1)
Stoich.:	ABC2D13E25 (1)
Weight, g/mol:	216.129634
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	6.36
IP(EA), eV:	-8.43(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-3-propylsulfanylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC(C)SC1CCCC(C1)(C(=O)O)NCC

DOS

IR

Vibrations