Geometry & MOs

Info

ID:

223252

PubChem CID:

85334750

Reduced:

SN4O4C23H30 (3)

Stoich.:

AB4C4D23E30 (3)

Weight, g/mol:

1374.432276

ΔHf, kcal/mol:

-463.48

Dipole, Da:

6.84

IP(EA), eV:

 -8.31(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[6-[2-[6-(7'-acetyl-7'-hydroxy-6'-methyl-7-propanoyloxyspiro[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] 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate

Drug info:

PubChemData

Smile

CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSCC(=O)NC(CC5=CC=CC=C5)C(=O)NC(CS)C(=O)NC(CC6=CC=CC=C6)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)O

DOS

IR

Vibrations