Geometry & MOs

Info

ID:	131860
PubChem CID:	51270132
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	357.103479
ΔH_f, kcal/mol:	-96.26
Dipole, Da:	5.71
IP(EA), eV:	-8.84(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-ethoxyphenyl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCN2C(=O)CCC2=O)C3=NC4=CC=CC=C4N3

DOS

IR

Vibrations