Geometry & MOs

Info

ID:	398619
PubChem CID:	135034327
Reduced:	NSO3H21C24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	304.14633
ΔH_f, kcal/mol:	-42.73
Dipole, Da:	5.44
IP(EA), eV:	-8.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 6-benzylnaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5=C(C6CCC5O6)C(=C4)C

DOS

IR

Vibrations