Geometry & MOs

Info

ID:	37663
PubChem CID:	8022923
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	415.05315
ΔH_f, kcal/mol:	-41.91
Dipole, Da:	4.57
IP(EA), eV:	-8.28(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C[C@@H](CC2=O)C(=O)N/N=C\C3=CC=C(C=C3)Br

DOS

IR

Vibrations