Geometry & MOs

Info

ID:	231692
PubChem CID:	87574458
Reduced:	SO5C21H22 (1)
Stoich.:	AB5C21D22 (1)
Weight, g/mol:	413.148789
ΔH_f, kcal/mol:	-161.48
Dipole, Da:	4.52
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[5-[(Z)-aminooxyiminomethyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl carbamate

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C(C2=CC=C1)C3=CC(=C(C(=C3C)OC)OC)S(=O)(=O)O)C

DOS

IR

Vibrations