Geometry & MOs

Info

ID:

215732

PubChem CID:

85085161

Reduced:

S2N15O18C54H81 (1)

Stoich.:

A2B15C18D54E81 (1)

Weight, g/mol:

1295.727292

ΔHf, kcal/mol:

-798.61

Dipole, Da:

11.33

IP(EA), eV:

 -8.92(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[[4-hydroxy-3-[[6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]methyl]-2-[10-[(4-methoxyphenyl)methoxy]decyl]-4-phenylmethoxyoxan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(CS)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)NCCOC2C(C(C(C(O2)CO)O)O)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CS)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N

DOS

IR

Vibrations