Geometry & MOs

Info

ID:	177514
PubChem CID:	76195859
Reduced:	FN2O2H17C18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	523.11067
ΔH_f, kcal/mol:	-87.57
Dipole, Da:	1.21
IP(EA), eV:	-9.24(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamoyl]phenyl]-4-tert-butylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=C(C(=O)NC2=CC(=CC=C2)F)NC(=O)C

DOS

IR

Vibrations