Geometry & MOs

Info

ID:	238308
PubChem CID:	92729970
Reduced:	BrN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	471.11575
ΔH_f, kcal/mol:	-94.83
Dipole, Da:	2.19
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-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=C(C=C3)Br

DOS

IR

Vibrations