Geometry & MOs

Info

ID:	141941
PubChem CID:	52955059
Reduced:	ClNO7C20H26 (1)
Stoich.:	ABC7D20E26 (1)
Weight, g/mol:	588.15553
ΔH_f, kcal/mol:	-109.9
Dipole, Da:	11.74
IP(EA), eV:	-10.36(-2.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-ylmethyl)-2-methyl-5-[4-[3-(trifluoromethyl)phenyl]imino-1H-phthalazin-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1CCC2C(C1)OC(=CC2=NCCCC(=O)O)C3=CC=CC=C3.OCl(=O)(=O)=O

DOS

IR

Vibrations