Geometry & MOs

Info

ID:	70712
PubChem CID:	48413762
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	397.097538
ΔH_f, kcal/mol:	10.01
Dipole, Da:	7.2
IP(EA), eV:	-9.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloropyridin-3-yl)sulfonyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations