Geometry & MOs

Info

ID:	238264
PubChem CID:	92729851
Reduced:	BrN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-119.23
Dipole, Da:	3.12
IP(EA), eV:	-9.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(2-methoxybenzoyl)amino]benzoyl]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COCCNC(=O)[C@H]1CCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations