Geometry & MOs

Info

ID:	37225
PubChem CID:	8018523
Reduced:	N2O3H20C21 (1)
Stoich.:	A2B3C20D21 (1)
Weight, g/mol:	372.095751
ΔH_f, kcal/mol:	-64.23
Dipole, Da:	1.74
IP(EA), eV:	-9.3(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[2-(2-nitrophenyl)acetyl]oxyacetyl]amino]benzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1CCCC2=CC=CC=C12)OC(=O)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations