Geometry & MOs

Info

ID:	53289
PubChem CID:	14710125
Reduced:	ClN2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	428.07356
ΔH_f, kcal/mol:	-50.82
Dipole, Da:	6.25
IP(EA), eV:	-9.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-bromo-2-(2-methylpropyl)-5-oxo-4-phenoxy-1H-pyrrol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1(C(=C(C(=O)N1)OC2=CC=CC=C2)Cl)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations