Geometry & MOs

Info

ID:	195051
PubChem CID:	78627841
Reduced:	O4N5H15C19 (1)
Stoich.:	A4B5C15D19 (1)
Weight, g/mol:	382.092204
ΔH_f, kcal/mol:	31.67
Dipole, Da:	3.56
IP(EA), eV:	-9.53(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(2-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-3-(4-methylphenyl)propanenitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C=C(N=N2)C=CC(=O)OCC3=NN=C(O3)C4=CC=CO4

DOS

IR

Vibrations