Geometry & MOs

Info

ID:	70826
PubChem CID:	48413919
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	321.089561
ΔH_f, kcal/mol:	-24.39
Dipole, Da:	2.6
IP(EA), eV:	-8.51(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)[C@@H](C)C2=CC3=C(C=C2)C=C(C=C3)OC

DOS

IR

Vibrations