Geometry & MOs

Info

ID:	17635
PubChem CID:	509312
Reduced:	S2O3N5H17C18 (1)
Stoich.:	A2B3C5D17E18 (1)
Weight, g/mol:	415.077282
ΔH_f, kcal/mol:	-4.18
Dipole, Da:	11.19
IP(EA), eV:	-8.67(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-N-[5-[(4-sulfamoylphenyl)methylamino]-1,3,4-thiadiazol-2-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NC2=NN=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N

DOS

IR

Vibrations