Geometry & MOs

Info

ID:	234156
PubChem CID:	92297836
Reduced:	O2S2N3C33H33 (1)
Stoich.:	A2B2C3D33E33 (1)
Weight, g/mol:	422.058883
ΔH_f, kcal/mol:	15.17
Dipole, Da:	10.15
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-1-(2-chlorophenyl)-2-(1-methylbenzimidazol-2-yl)ethenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(NC(=C([C@H]2C3=CC=CS3)C#N)SCC(=O)C4=CC=C(C=C4)C5CCCCC5)C

DOS

IR

Vibrations