Geometry & MOs

Info

ID:	52746
PubChem CID:	12015830
Reduced:	O2N5H23C24 (1)
Stoich.:	A2B5C23D24 (1)
Weight, g/mol:	412.189926
ΔH_f, kcal/mol:	34.89
Dipole, Da:	6.12
IP(EA), eV:	-8.86(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3H-benzimidazol-5-yl)-2-[(4-tert-butylbenzoyl)amino]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations