Geometry & MOs

Info

ID:	171310
PubChem CID:	75356666
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	365.120941
ΔH_f, kcal/mol:	-68.49
Dipole, Da:	8.8
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)sulfonylethyl]-1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C)C(=O)NC2=CC3=C(C=C2)NC(=O)C4CCCN4C3=O

DOS

IR

Vibrations