Geometry & MOs

Info

ID:	44698
PubChem CID:	10505441
Reduced:	SN2O5C27H32 (1)
Stoich.:	AB2C5D27E32 (1)
Weight, g/mol:	496.253117
ΔH_f, kcal/mol:	-170.34
Dipole, Da:	4.77
IP(EA), eV:	-8.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (5Z,8Z,11Z)-14-(triphenyl-lambda5-phosphanylidene)tetradeca-5,8,11-trienoate

Drug info:

PubChemData

Smile

CC(=O)O[C@H](C1=NC=CS1)[C@H](CC2=CC=CC=C2)N(CC3=CC=C(C=C3)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations