Geometry & MOs

Info

ID:	351133
PubChem CID:	127279691
Reduced:	N2O2S2C17H20 (1)
Stoich.:	A2B2C2D17E20 (1)
Weight, g/mol:	377.140927
ΔH_f, kcal/mol:	-45.13
Dipole, Da:	3.45
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCC1CCC2=C(C1)SC(=N2)NC(=O)C3=CC4=C(S3)CCOC4

DOS

IR

Vibrations