Geometry & MOs

Info

ID:	123969
PubChem CID:	50868176
Reduced:	SO2N4C32H40 (1)
Stoich.:	AB2C4D32E40 (1)
Weight, g/mol:	382.215747
ΔH_f, kcal/mol:	-23.25
Dipole, Da:	6.54
IP(EA), eV:	-7.88(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-(1H-benzimidazol-2-yl)-3-(2,2,4-trimethyl-1-propylquinolin-6-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C=C2)/C=C/3\C(=O)N(C(=NC4=CC=CC=C4)S3)CCCN5CCOCC5)C(=CC1(C)C)C

DOS

IR

Vibrations