Geometry & MOs

Info

ID:	10308
PubChem CID:	100118
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	331.099063
ΔH_f, kcal/mol:	-5.77
Dipole, Da:	9.28
IP(EA), eV:	-9.33(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-benzylsulfanyl-N-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

DOS

IR

Vibrations