Geometry & MOs

Info

ID:	132814
PubChem CID:	51426573
Reduced:	ClNO7C19H20 (1)
Stoich.:	ABC7D19E20 (1)
Weight, g/mol:	403.053472
ΔH_f, kcal/mol:	-248.27
Dipole, Da:	5.79
IP(EA), eV:	-9.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[5-[(3-methoxybenzoyl)amino]-1,3,4-thiadiazol-2-yl]sulfonyl-(3-methylphenyl)azanide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@@H]([C@@H]2[C@@H](CO[C@@H](O2)C3=CC=CO3)O[C@@H]1OC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations