Geometry & MOs

Info

ID:	52743
PubChem CID:	12015824
Reduced:	ClO2N4H23C25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	470.195405
ΔH_f, kcal/mol:	1.09
Dipole, Da:	3.4
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-tert-butylbenzoyl)amino]-4-(1H-indazole-6-carbonylamino)benzoate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=CC4=NNC(=C4C=C3)Cl

DOS

IR

Vibrations