Geometry & MOs

Info

ID:	26781
PubChem CID:	798310
Reduced:	SO2N4H14C16 (1)
Stoich.:	AB2C4D14E16 (1)
Weight, g/mol:	294.121572
ΔH_f, kcal/mol:	93.6
Dipole, Da:	7.78
IP(EA), eV:	-9.02(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-4-methyl-2-[(3-nitrobenzoyl)amino]pentanoate

Drug info:

PubChemData

Smile

CCSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations