Geometry & MOs

Info

ID:	135569
PubChem CID:	51894540
Reduced:	N2S2O4C21H24 (1)
Stoich.:	A2B2C4D21E24 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	5.36
IP(EA), eV:	-9.32(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CCS(=O)(=O)C2=CC=CC=C2)C(=O)[C@H]3C[C@H]3C4=CC=CS4

DOS

IR

Vibrations