Geometry & MOs

Info

ID:	9889
PubChem CID:	94493
Reduced:	PO5C29H51 (1)
Stoich.:	AB5C29D51 (1)
Weight, g/mol:	510.347412
ΔH_f, kcal/mol:	-374.09
Dipole, Da:	5.53
IP(EA), eV:	-8.57(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1O[C@](CC2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)OP(=O)(O)O)C

DOS

IR

Vibrations