Geometry & MOs

Info

ID:

146881

PubChem CID:

53765236

Reduced:

SN4O4C22H30 (1)

Stoich.:

AB4C4D22E30 (1)

Weight, g/mol:

690.631482

ΔHf, kcal/mol:

-120.44

Dipole, Da:

6.29

IP(EA), eV:

 -8.91(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(10S,13S,14R,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] octadec-9-enoate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C2=C(C=CC(=C2)C=CC3CCNCC3)C(=N1)C4CCN(CC4)CC(=O)O

DOS

IR

Vibrations