Geometry & MOs

Info

ID:

222154

PubChem CID:

85294762

Reduced:

SN7O12C58H79 (1)

Stoich.:

AB7C12D58E79 (1)

Weight, g/mol:

1098.635994

ΔHf, kcal/mol:

-454.79

Dipole, Da:

8.73

IP(EA), eV:

 -8.82(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[1-[2-(5,5-dimethoxy-4-methylpentan-2-yl)-1,3-dithian-2-yl]-5-[2-[2-[(4-methoxyphenyl)methoxy]-4-[3-methoxy-4-tri(propan-2-yl)silyloxycyclohexyl]-3-methylbutyl]-1,3-dithian-2-yl]-3-methylhex-3-en-2-yl]oxy-dimethylsilane

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(C(C2(C)C)(C)C)(C)C)C)S(=O)(=O)N(CCNC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)CC(=O)NC(CC5=CC=C(C=C5)[N+](=O)[O-])C(=O)NC(CC(C)C)C(=O)N)C

DOS

IR

Vibrations