Geometry & MOs

Info

ID:

224189

PubChem CID:

85339848

Reduced:

S4O16N20C45H80 (1)

Stoich.:

A4B16C20D45E80 (1)

Weight, g/mol:

1292.494571

ΔHf, kcal/mol:

-636.18

Dipole, Da:

6.65

IP(EA), eV:

 -9.1(-1.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[6-[2-[6-(7'-acetyl-7-acetyloxy-7'-hydroxy-6'-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,4'-6,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran]-6-yl)oxy-4-hydroxy-5-methoxy-2-(methoxymethyl)oxan-3-yl]oxy-3-hydroxy-5-methoxy-6-methyloxan-4-yl]oxy-4'-hydroxy-2',4,7a-trimethylspiro[3a,4,6,7-tetrahydro-[1,3]dioxolo[4,5-c]pyran-2,6'-oxane]-3'-yl]oxy-4-hydroxy-2-methyloxan-3-yl] 2,4-dihydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC(CO)C(=O)NCC(=O)NC(CS)C(=O)NC(C)C(=O)NCC(=O)NC(CS)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CS)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CS)N

DOS

IR

Vibrations