Geometry & MOs

Info

ID:	244266
PubChem CID:	99319624
Reduced:	BrN3O3C22H26 (1)
Stoich.:	AB3C3D22E26 (1)
Weight, g/mol:	415.189592
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	4.31
IP(EA), eV:	-9.65(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-naphthalen-1-yl-5-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NCCNC(=O)CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2Br

DOS

IR

Vibrations