Geometry & MOs

Info

ID:	34402
PubChem CID:	7891133
Reduced:	N3O7H15C17 (1)
Stoich.:	A3B7C15D17 (1)
Weight, g/mol:	372.106984
ΔH_f, kcal/mol:	-159.22
Dipole, Da:	6.0
IP(EA), eV:	-8.43(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

DOS

IR

Vibrations