Geometry & MOs

Info

ID:

168196

PubChem CID:

74936540

Reduced:

SN6O14C54H79 (2)

Stoich.:

AB6C14D54E79 (2)

Weight, g/mol:

462.298139

ΔHf, kcal/mol:

-1267.01

Dipole, Da:

11.52

IP(EA), eV:

 -8.53(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(3-ethoxy-10-hydroxy-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-9-yl)-1-hydroxy-3-methylpent-2-enyl]-3-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(C(C(=O)N(CCCCNC(=O)CCSSCCC(=O)NCCCCN(CCCN(CCCNC(=O)C1=C(C(=CC=C1)OCC2=CC=C(C=C2)OC)OCC3=CC=C(C=C3)OC)C(=O)C(C(C)O)NC(=O)OC(C)(C)C)C(=O)C(C(C)O)NC(=O)OC(C)(C)C)CCCN(CCCNC(=O)C4=C(C(=CC=C4)OCC5=CC=C(C=C5)OC)OCC6=CC=C(C=C6)OC)C(=O)C(C(C)O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)O

DOS

IR

Vibrations