Geometry & MOs

Info

ID:	195222
PubChem CID:	78657273
Reduced:	SN2O6C19H22 (1)
Stoich.:	AB2C6D19E22 (1)
Weight, g/mol:	361.142641
ΔH_f, kcal/mol:	-188.17
Dipole, Da:	7.53
IP(EA), eV:	-9.75(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-cyano-3-(3-methyl-1H-benzimidazol-2-ylidene)-2-oxopropyl] 2-(2-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)C(C)OC(=O)C2=NC(=O)C3C=CC=CC3=C2

DOS

IR

Vibrations