Geometry & MOs

Info

ID:	438063
PubChem CID:	135227576
Reduced:	SN2O5C18H20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	389.080732
ΔH_f, kcal/mol:	-119.59
Dipole, Da:	5.99
IP(EA), eV:	-8.89(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[[6-(hydroxycarbamoyl)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]methyl]phenyl]methanesulfinate

Drug info:

PubChemData

Smile

CC1CN(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=CC=C(C=C3)CS(=O)O

DOS

IR

Vibrations