Geometry & MOs

Info

ID:	162340
PubChem CID:	57394352
Reduced:	BrNSO4H12C17 (1)
Stoich.:	ABCD4E12F17 (1)
Weight, g/mol:	402.97902
ΔH_f, kcal/mol:	-66.87
Dipole, Da:	2.56
IP(EA), eV:	-8.96(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC(=C(C=C3)O)Br)/OC2=S

DOS

IR

Vibrations