Geometry & MOs

Info

ID:	238307
PubChem CID:	92729969
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	471.11575
ΔH_f, kcal/mol:	-95.24
Dipole, Da:	7.02
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[4-[(4-bromobenzoyl)amino]benzoyl]-N-butylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations