Geometry & MOs

Info

ID:	32993
PubChem CID:	7850005
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	380.10823
ΔH_f, kcal/mol:	-92.91
Dipole, Da:	4.98
IP(EA), eV:	-9.65(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-phenylphenyl)methyl 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1/C=C/C(=O)O[C@@H](C)C(=O)NC2(CCCCC2)C#N

DOS

IR

Vibrations