Geometry & MOs

Info

ID:	37717
PubChem CID:	8023562
Reduced:	SO2N5C19H23 (1)
Stoich.:	AB2C5D19E23 (1)
Weight, g/mol:	402.115047
ΔH_f, kcal/mol:	-14.78
Dipole, Da:	7.3
IP(EA), eV:	-8.9(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CC(=O)NC2=CC=CC=C2N1C(=O)CSC3=NN=C4N3CCCCC4

DOS

IR

Vibrations