Geometry & MOs

Info

ID:	33793
PubChem CID:	7888126
Reduced:	NO4C24H29 (1)
Stoich.:	AB4C24D29 (1)
Weight, g/mol:	408.168522
ΔH_f, kcal/mol:	-169.5
Dipole, Da:	2.28
IP(EA), eV:	-9.59(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations