Geometry & MOs

Info

ID:	84735
PubChem CID:	49869509
Reduced:	ClO2F3N5C27H31 (1)
Stoich.:	AB2C3D5E27F31 (1)
Weight, g/mol:	426.183795
ΔH_f, kcal/mol:	-197.25
Dipole, Da:	6.75
IP(EA), eV:	-8.77(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-cyclopropylpyrazol-1-yl)-N-[(1S,3R)-3-(3-methyl-1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2CCN(CC2)CC(CNC(=O)C3=C(N(C(=N3)C)C4=CC=CC=C4C(F)(F)F)C)O

DOS

IR

Vibrations