Geometry & MOs

Info

ID:	360265
PubChem CID:	127300908
Reduced:	ON7C20H25 (1)
Stoich.:	AB7C20D25 (1)
Weight, g/mol:	385.157246
ΔH_f, kcal/mol:	58.91
Dipole, Da:	8.03
IP(EA), eV:	-9.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-oxo-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)propyl]-1,4-benzothiazin-3-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)CC(=O)N3CCN4C(=NN=C4C(C)C)C3)C

DOS

IR

Vibrations