Geometry & MOs

Info

ID:	157830
PubChem CID:	56437507
Reduced:	SN2O5C21H34 (1)
Stoich.:	AB2C5D21E34 (1)
Weight, g/mol:	461.209676
ΔH_f, kcal/mol:	-241.24
Dipole, Da:	2.26
IP(EA), eV:	-9.42(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[4-(diethylcarbamoyl)phenyl]sulfonylpiperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)C(=O)N(C)CCCC(=O)OC(C)(C)C

DOS

IR

Vibrations