Geometry & MOs

Info

ID:	141949
PubChem CID:	52956494
Reduced:	SN3O3H19C21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	520.168145
ΔH_f, kcal/mol:	-31.15
Dipole, Da:	8.74
IP(EA), eV:	-8.81(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-(4-phenylimino-1H-phthalazin-1-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)N=C3N=C4C=CC(=CC4S3)C

DOS

IR

Vibrations