Geometry & MOs

Info

ID:	437657
PubChem CID:	135226764
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	411.172896
ΔH_f, kcal/mol:	70.02
Dipole, Da:	5.89
IP(EA), eV:	-8.47(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[4-[(1-oxo-1,4-thiazinan-4-yl)methyl]phenyl]-2,3-dihydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=CC=C(C=C2)C3=CC=CC4=NC(NN43)N

DOS

IR

Vibrations