Geometry & MOs

Info

ID:	158046
PubChem CID:	56459436
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	421.14199
ΔH_f, kcal/mol:	-77.94
Dipole, Da:	9.92
IP(EA), eV:	-8.84(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-5-methyl-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations