Geometry & MOs

Info

ID:	252161
PubChem CID:	103109513
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	297.114713
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	4.08
IP(EA), eV:	-9.7(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(2-methyl-3-nitrophenyl)methyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)CC(C)CN

DOS

IR

Vibrations