Geometry & MOs

Info

ID:	39850
PubChem CID:	8142570
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	-38.34
Dipole, Da:	1.69
IP(EA), eV:	-9.13(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-N-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=N\NC(=O)[C@@H]2[C@@H](CNC2=O)C3=CC=CC=C3)Br

DOS

IR

Vibrations