Geometry & MOs

Info

ID:	195645
PubChem CID:	78715042
Reduced:	S2N3O3C19H25 (1)
Stoich.:	A2B3C3D19E25 (1)
Weight, g/mol:	385.094167
ΔH_f, kcal/mol:	-73.5
Dipole, Da:	10.25
IP(EA), eV:	-9.16(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCC2)N(C)CC3=CC=CS3

DOS

IR

Vibrations