Geometry & MOs

Info

ID:	124505
PubChem CID:	50885647
Reduced:	BrSN3O5H16C28 (1)
Stoich.:	ABC3D5E16F28 (1)
Weight, g/mol:	302.153147
ΔH_f, kcal/mol:	55.89
Dipole, Da:	4.81
IP(EA), eV:	-9.42(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(1H-benzimidazol-2-yl)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)Br)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])/C#N

DOS

IR

Vibrations