Geometry & MOs

Info

ID:	383595
PubChem CID:	134975394
Reduced:	O3C14H25 (2)
Stoich.:	A3B14C25 (2)
Weight, g/mol:	572.164224
ΔH_f, kcal/mol:	-334.88
Dipole, Da:	8.19
IP(EA), eV:	-9.9(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,6S)-3,4,5-triacetyloxy-6-[4-[(4-aminobenzoyl)amino]-3,6-dioxocyclohexa-1,4-dien-1-yl]oxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(=O)CO[C@@H](CCC)[C@@H]1CC[C@@H](O1)[C@@H](CC/C=C/COC(=O)C)O

DOS

IR

Vibrations