Geometry & MOs

Info

ID:	51938
PubChem CID:	12014708
Reduced:	N2O5C31H34 (1)
Stoich.:	A2B5C31D34 (1)
Weight, g/mol:	405.139865
ΔH_f, kcal/mol:	-108.88
Dipole, Da:	3.0
IP(EA), eV:	-8.68(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)sulfonyl-1-phenylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C([C@@H](/C=N/N1CCC[C@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C4=CC=CC=C4)C(=O)OC

DOS

IR

Vibrations