Geometry & MOs

Info

ID:	438061
PubChem CID:	135227574
Reduced:	NC15H17 (1)
Stoich.:	AB15C17 (1)
Weight, g/mol:	375.101468
ΔH_f, kcal/mol:	27.39
Dipole, Da:	2.92
IP(EA), eV:	-7.51(0.32)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(CC1)N(C3=C2C=C(C=C3)C)C

DOS

IR

Vibrations