Geometry & MOs

Info

ID:	301954
PubChem CID:	123105098
Reduced:	ClNSO4H18C20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	377.048857
ΔH_f, kcal/mol:	-82.74
Dipole, Da:	3.57
IP(EA), eV:	-8.92(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCN1C(=O)COC2=C1C=C(C=C2)C(=O)CS(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations