Geometry & MOs

Info

ID:	341889
PubChem CID:	127264582
Reduced:	N3O6C25H25 (1)
Stoich.:	A3B6C25D25 (1)
Weight, g/mol:	431.184506
ΔH_f, kcal/mol:	-201.7
Dipole, Da:	7.3
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[[(2S)-1-naphthalen-2-ylpyrrolidine-2-carbonyl]amino]-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)N3CCC[C@H]3C(=O)NC(=O)CNC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations