Geometry & MOs

Info

ID:	244335
PubChem CID:	99344095
Reduced:	O2N5C22H25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	371.105211
ΔH_f, kcal/mol:	-6.19
Dipole, Da:	1.37
IP(EA), eV:	-8.88(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfamoyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)N[C@H](C(C)C)C(=O)NC2=CN(N=C2)CC3=CC=NC=C3

DOS

IR

Vibrations