Geometry & MOs

Info

ID:	137415
PubChem CID:	52205287
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	335.152144
ΔH_f, kcal/mol:	-126.78
Dipole, Da:	3.42
IP(EA), eV:	-9.8(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(benzylcarbamoyl)phenyl] (1S)-cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NO1)[C@@H]2CCCN2S(=O)(=O)C[C@@]34CC[C@@H](C3(C)C)CC4=O

DOS

IR

Vibrations