Geometry & MOs

Info

ID:	407219
PubChem CID:	135079589
Reduced:	ClSO2N5C19H22 (1)
Stoich.:	ABC2D5E19F22 (1)
Weight, g/mol:	277.073893
ΔH_f, kcal/mol:	32.7
Dipole, Da:	6.97
IP(EA), eV:	-8.3(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-nitronaphthalen-1-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CCN(CC)N1C(=C2C=C(C=CC2=N1)Cl)/C=N/NS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations