Geometry & MOs

Info

ID:

168678

PubChem CID:

75001310

Reduced:

O14N18C61H108 (1)

Stoich.:

A14B18C61D108 (1)

Weight, g/mol:

478.256668

ΔHf, kcal/mol:

-595.74

Dipole, Da:

39.25

IP(EA), eV:

 -6.23(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(9,10-diacetyloxy-5-hydroxy-4,8,12,15,15-pentamethyl-13-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl) acetate

Drug info:

PubChemData

Smile

CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC2=CC=CC=C2)CC(C)C)CCN)CCNC(=O)C(CCCCN)N)C(C)O

DOS

IR

Vibrations