Geometry & MOs

Info

ID:	234020
PubChem CID:	92297547
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	362.188195
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	6.71
IP(EA), eV:	-9.22(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-5-(2-methoxyphenyl)-3-[(Z)-2-(2-methoxyphenyl)ethenyl]-2,4-dimethylcyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CN2C(=C(C(=O)NC2=S)C3=CC=CC=C3)O1

DOS

IR

Vibrations