Geometry & MOs

Info

ID:	173320
PubChem CID:	75622659
Reduced:	ClNSO4C14H18 (1)
Stoich.:	ABCD4E14F18 (1)
Weight, g/mol:	334.107282
ΔH_f, kcal/mol:	-156.34
Dipole, Da:	6.0
IP(EA), eV:	-9.8(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

propan-2-yl 3-[(1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-yl)sulfonylamino]propanoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)CCNS(=O)(=O)C=CC1=CC=C(C=C1)Cl

DOS

IR

Vibrations