Geometry & MOs

Info

ID:	147186
PubChem CID:	53786840
Reduced:	ClS2N5O5C22H22 (1)
Stoich.:	AB2C5D5E22F22 (1)
Weight, g/mol:	486.216809
ΔH_f, kcal/mol:	-105.96
Dipole, Da:	6.57
IP(EA), eV:	-9.02(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(1H-benzimidazol-2-yl)-2-(4-phenylmethoxyphenyl)ethyl]-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

COC(=O)CN([C@H]1CCN(C1=O)CC2=CC3=C(C=C2)C(=NC=N3)N)S(=O)(=O)C=CC4=CC=C(S4)Cl

DOS

IR

Vibrations