Geometry & MOs

Info

ID:	238309
PubChem CID:	92729971
Reduced:	BrN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	3.67
IP(EA), eV:	-9.27(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations