Geometry & MOs

Info

ID:	131356
PubChem CID:	51194456
Reduced:	SN3O4C18H21 (1)
Stoich.:	AB3C4D18E21 (1)
Weight, g/mol:	375.125277
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	9.88
IP(EA), eV:	-9.29(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]-3-(2-methoxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)/C=C/C2=CC(=CC=C2)OC)C3CCS(=O)(=O)C3

DOS

IR

Vibrations