Geometry & MOs

Info

ID:

32023

PubChem CID:

4253323

Reduced:

S2N4O5C28H34 (1)

Stoich.:

A2B4C5D28E34 (1)

Weight, g/mol:

755.512489

ΔHf, kcal/mol:

-153.96

Dipole, Da:

7.5

IP(EA), eV:

 -9.16(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-N-[[17-(furan-2-carbonyl)-5,13-dihydroxy-6,10-dimethyl-5-pentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-16,18-dienyl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C)C)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations