Geometry & MOs

Info

ID:	438062
PubChem CID:	135227575
Reduced:	SN2O5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	376.109293
ΔH_f, kcal/mol:	-100.65
Dipole, Da:	8.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778117
Charge, e:	0

Chem-info

IUPAC name:

[4-[[6-(hydroxycarbamoyl)-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methyl]phenyl]methanesulfinic acid

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