Geometry & MOs

Info

ID:	71035
PubChem CID:	48414204
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	7.28
Dipole, Da:	4.54
IP(EA), eV:	-9.4(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-4-propan-2-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC=C(C=C2)OCC3=NC=CN3C

DOS

IR

Vibrations