Geometry & MOs

Info

ID:	159556
PubChem CID:	57288450
Reduced:	PO3C19H31 (1)
Stoich.:	AB3C19D31 (1)
Weight, g/mol:	278.998363
ΔH_f, kcal/mol:	-158.07
Dipole, Da:	1.71
IP(EA), eV:	-9.06(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carbamoyl 5-propan-2-ylsulfonyl-1,3,4-thiadiazole-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CC=C(C=C1)OC(=O)CCOP

DOS

IR

Vibrations