Geometry & MOs

Info

ID:	242832
PubChem CID:	99213261
Reduced:	ClFSO2N3H13C18 (1)
Stoich.:	ABCD2E3F13G18 (1)
Weight, g/mol:	375.026682
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	6.0
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methyl-5-methylsulfanylbenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C\C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl)F

DOS

IR

Vibrations