Geometry & MOs

Info

ID:	148400
PubChem CID:	53788062
Reduced:	ON2C18H30 (1)
Stoich.:	AB2C18D30 (1)
Weight, g/mol:	312.133006
ΔH_f, kcal/mol:	-64.38
Dipole, Da:	2.88
IP(EA), eV:	-8.75(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-amino-3-sulfanylphenyl)ethyl]-3-tert-butylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC.CC.C1CNCCC1N2C(=O)CCC3=CC=CC=C32

DOS

IR

Vibrations