Geometry & MOs

Info

ID:	301983
PubChem CID:	123106973
Reduced:	NSO6C21H21 (1)
Stoich.:	ABC6D21E21 (1)
Weight, g/mol:	401.093309
ΔH_f, kcal/mol:	-183.69
Dipole, Da:	5.67
IP(EA), eV:	-8.96(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-oxopropan-2-yl]sulfinylmethyl]benzoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations