Geometry & MOs

Info

ID:	146368
PubChem CID:	53677356
Reduced:	BrON4H17C24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	430.200491
ΔH_f, kcal/mol:	82.52
Dipole, Da:	3.1
IP(EA), eV:	-8.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylbenzoyl)amino]-N-[3-(N'-hydroxycarbamimidoyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C3=CC=C(C=C3)Br)NC4=CC=C(C=C4)C5=CN=CN5)C(=O)N2

DOS

IR

Vibrations