Geometry & MOs

Info

ID:	121867
PubChem CID:	50784590
Reduced:	SN3O4C19H21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	482.123561
ΔH_f, kcal/mol:	-131.3
Dipole, Da:	2.26
IP(EA), eV:	-8.71(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)CS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)N3C)C

DOS

IR

Vibrations