Geometry & MOs

Info

ID:	446423
PubChem CID:	135274856
Reduced:	IN2O2C8H15 (1)
Stoich.:	AB2C2D8E15 (1)
Weight, g/mol:	446.215197
ΔH_f, kcal/mol:	-95.3
Dipole, Da:	1.06
IP(EA), eV:	-9.7(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E)-5-[(1S,4S)-1,2-dihydroxy-2,6,6-trimethyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl]-3-methylpenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

CC(C)C(=O)NCCNC(=O)CI

DOS

IR

Vibrations