Geometry & MOs

Info

ID:	77594
PubChem CID:	49658323
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-119.67
Dipole, Da:	7.35
IP(EA), eV:	-9.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-ethyl-3-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations