Geometry & MOs

Info

ID:	126565
PubChem CID:	50968132
Reduced:	O3N4C16H18 (1)
Stoich.:	A3B4C16D18 (1)
Weight, g/mol:	352.066383
ΔH_f, kcal/mol:	-1.33
Dipole, Da:	3.55
IP(EA), eV:	-9.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-N-(2-methyl-1,1-dioxo-3,4-dihydrothieno[2,3-e]thiazin-4-yl)-1H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1)C(=O)NCC2=NOC(=C2)C3=CC=CO3)C

DOS

IR

Vibrations