Geometry & MOs

Info

ID:	302779
PubChem CID:	124395249
Reduced:	SO3N5C26H31 (1)
Stoich.:	AB3C5D26E31 (1)
Weight, g/mol:	463.225977
ΔH_f, kcal/mol:	-41.68
Dipole, Da:	5.66
IP(EA), eV:	-8.39(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[3-ethoxy-4-[(4-methylphenyl)methoxy]-5-prop-2-enylphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)[C@H](C)NC(=O)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations