Geometry & MOs

Info

ID:	234153
PubChem CID:	92297828
Reduced:	SN3O3H31C36 (1)
Stoich.:	AB3C3D31E36 (1)
Weight, g/mol:	505.157246
ΔH_f, kcal/mol:	29.73
Dipole, Da:	8.14
IP(EA), eV:	-8.66(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(Z)-1-cyano-2-[1-[2-(2-methylphenoxy)ethyl]indol-3-yl]ethenyl]-1,3,4-thiadiazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)[C@H](C)SC2=C(C(=CC(=N2)C3=CC=CC=C3)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C#N

DOS

IR

Vibrations