Geometry & MOs

Info

ID:

169760

PubChem CID:

75144654

Reduced:

P2N7O25C91H151 (1)

Stoich.:

A2B7C25D91E151 (1)

Weight, g/mol:

2788.323698

ΔHf, kcal/mol:

-1338.27

Dipole, Da:

14.87

IP(EA), eV:

 -8.91(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 -8

Chem-info

IUPAC name:

2-[2-carboxylato-6-(1,2-dihydroxyethyl)-5-[6-(1,2-dihydroxyethyl)-4-[6-[2-[6-(1,2-dihydroxyethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-3,4-dihydroxy-5-phosphonatooxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-2-[[5-(3-dodecanoyloxytetradecanoylamino)-4-(3-heptanoyloxytetradecanoyloxy)-6-[[3-hydroxy-5-(3-hydroxytetradecanoylamino)-4-(3-hydroxytetradecanoyloxy)-6-phosphonatooxyoxan-2-yl]methoxy]-3-phosphonatooxyoxan-2-yl]methoxy]oxan-4-yl]oxy-6-(1,2-dihydroxyethyl)-4,5-dihydroxyoxane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1OC2C(C(C(C(O2)CO)O)O)NC(=O)C)CO)OP(=O)(O)OP(=O)(O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)NC(=O)C

DOS

IR

Vibrations