Geometry & MOs

Info

ID:

314349

PubChem CID:

126621687

Reduced:

NSH14C23 (2)

Stoich.:

ABC14D23 (2)

Weight, g/mol:

608.465204

ΔHf, kcal/mol:

212.18

Dipole, Da:

3.0

IP(EA), eV:

 -7.82(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-7-[(3S,8R,10R,12R,14R)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6,11-dimethyldodec-10-ene-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)N(C4=CC=CC=C4)C5=CC6=C(C=C5)C7=CC=CC=C7S6)C8=C2C=C9C(=C8)C=CC1=C9C2=CC=CC=C2S1

DOS

IR

Vibrations