Geometry & MOs

Info

ID:	133164
PubChem CID:	51486183
Reduced:	N2O5C24H24 (1)
Stoich.:	A2B5C24D24 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	-134.21
Dipole, Da:	3.05
IP(EA), eV:	-8.78(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-nitroanilino)-1-oxopropan-2-yl] (2S)-2-phenylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCOCC1)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC

DOS

IR

Vibrations