Geometry & MOs

Info

ID:	341888
PubChem CID:	127264581
Reduced:	N2O3C11H12 (2)
Stoich.:	A2B3C11D12 (2)
Weight, g/mol:	463.174336
ΔH_f, kcal/mol:	-139.07
Dipole, Da:	8.29
IP(EA), eV:	-9.49(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[[(2S)-1-(4-methyl-2-oxochromen-7-yl)pyrrolidine-2-carbonyl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations