Geometry & MOs

Info

ID:	155633
PubChem CID:	56366485
Reduced:	NSO4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	428.151826
ΔH_f, kcal/mol:	-81.7
Dipole, Da:	5.84
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations