Geometry & MOs

Info

ID:	127195
PubChem CID:	50994167
Reduced:	O3C23H26 (1)
Stoich.:	A3B23C26 (1)
Weight, g/mol:	419.155515
ΔH_f, kcal/mol:	-99.19
Dipole, Da:	3.63
IP(EA), eV:	-9.34(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-sulfanylidenepyridin-1-yl) 2-hydroxy-2-methyl-7,7-diphenylhept-6-enoate

Drug info:

PubChemData

Smile

CC1(OC(=O)C(O1)(C)CCCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations