Geometry & MOs

Info

ID:	44683
PubChem CID:	10505339
Reduced:	ClSO2F3N3H19C23 (1)
Stoich.:	ABC2D3E3F19G23 (1)
Weight, g/mol:	494.194068
ΔH_f, kcal/mol:	-143.17
Dipole, Da:	9.29
IP(EA), eV:	-8.81(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethoxy-5-phenylmethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)butane-1,4-dione

Drug info:

PubChemData

Smile

CC1=NSC(=C1Cl)NC(=O)/C(=C\NC2CC2)/C3=CC=C(C=C3)OC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations