Geometry & MOs

Info

ID:	301953
PubChem CID:	123105097
Reduced:	ClNSO4C20H20 (1)
Stoich.:	ABCD4E20F20 (1)
Weight, g/mol:	403.064507
ΔH_f, kcal/mol:	-111.3
Dipole, Da:	3.65
IP(EA), eV:	-8.86(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(4-chlorophenyl)methylsulfinyl]acetyl]-4-prop-2-enyl-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)COC2=C1C=C(C=C2)C(=O)CS(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations