Geometry & MOs

Info

ID:	436117
PubChem CID:	135193884
Reduced:	SN2O5C12H16 (1)
Stoich.:	AB2C5D12E16 (1)
Weight, g/mol:	413.154466
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	5.47
IP(EA), eV:	-9.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-5-methyl-3,6-dioxo-2-(triphenyl-lambda5-phosphanylidene)heptanenitrile

Drug info:

PubChemData

Smile

CC1=NC(=CS1)/C(=N/OC[C@@H]2COC(O2)(C)C)/C(=O)O

DOS

IR

Vibrations