Geometry & MOs

Info

ID:	178287
PubChem CID:	76308478
Reduced:	N2S2F3O7H23C30 (1)
Stoich.:	A2B2C3D7E23F30 (1)
Weight, g/mol:	480.885296
ΔH_f, kcal/mol:	-345.75
Dipole, Da:	11.27
IP(EA), eV:	-9.01(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-(4-chlorosulfonylphenyl)sulfanyl-1,3,4-thiadiazol-2-yl]amino]benzenesulfonyl chloride

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)NC2=CC=CC3=C2C=CC=C3S(=O)(=O)NC4=CC=C(C=C4)SC(F)(F)F)OC(=O)C

DOS

IR

Vibrations