Geometry & MOs

Info

ID:	292296
PubChem CID:	114916088
Reduced:	NS2O5C9H13 (1)
Stoich.:	AB2C5D9E13 (1)
Weight, g/mol:	279.067762
ΔH_f, kcal/mol:	-191.93
Dipole, Da:	3.95
IP(EA), eV:	-8.71(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-3-[(5-methyl-1H-pyrazole-3-carbonyl)amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=C1NS(=O)(=O)CCO)C(=O)OC

DOS

IR

Vibrations