Geometry & MOs

Info

ID:	52742
PubChem CID:	12015821
Reduced:	O2N3C26H27 (1)
Stoich.:	A2B3C26D27 (1)
Weight, g/mol:	446.150954
ΔH_f, kcal/mol:	-34.85
Dipole, Da:	3.93
IP(EA), eV:	-8.3(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-2H-indazol-6-yl)benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=C(CCN4)C=C3

DOS

IR

Vibrations