Geometry & MOs

Info

ID:	125916
PubChem CID:	50943962
Reduced:	ClNS2O7C24H24 (1)
Stoich.:	ABC2D7E24F24 (1)
Weight, g/mol:	430.049351
ΔH_f, kcal/mol:	-167.68
Dipole, Da:	6.15
IP(EA), eV:	-8.48(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C2C(=CC1=O)[C@H](CCC3=C2C(=C(C(=C3Cl)OC)OC)OC)NS(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations