Geometry & MOs

Info

ID:	195973
PubChem CID:	78757511
Reduced:	SN3O4H14C20 (1)
Stoich.:	AB3C4D14E20 (1)
Weight, g/mol:	390.971094
ΔH_f, kcal/mol:	-4.77
Dipole, Da:	4.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.898924
Charge, e:	-1

Chem-info

IUPAC name:

3-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)C4=CC=CC=C4

DOS

IR

Vibrations