Geometry & MOs

Info

ID:	52753
PubChem CID:	12015848
Reduced:	N3O5C30H35 (1)
Stoich.:	A3B5C30D35 (1)
Weight, g/mol:	418.189257
ΔH_f, kcal/mol:	-156.02
Dipole, Da:	5.95
IP(EA), eV:	-9.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3R)-3-phenyl-1-[(2S)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carbonyl]aziridine-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)/C(=C/C2=CC=CC=C2)/NC(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations