Geometry & MOs

Info

ID:	61044
PubChem CID:	26704711
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	372.169859
ΔH_f, kcal/mol:	22.74
Dipole, Da:	8.33
IP(EA), eV:	-8.43(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyltriazol-4-yl)-N-(1-ethylbenzimidazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)CCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC

DOS

IR

Vibrations