Geometry & MOs

Info

ID:	219418
PubChem CID:	85148635
Reduced:	NF2O3C31H33 (1)
Stoich.:	AB2C3D31E33 (1)
Weight, g/mol:	505.192294
ΔH_f, kcal/mol:	-149.89
Dipole, Da:	2.06
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[6-(3-methoxy-3-oxoprop-1-enyl)-5-(4-phenylbutoxy)pyridin-2-yl]methylsulfanylmethyl]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1(CCN(CC1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C4=CC=CC=C4

DOS

IR

Vibrations