Geometry & MOs

Info

ID:

402532

PubChem CID:

135056304

Reduced:

SN6O8C36H50 (1)

Stoich.:

AB6C8D36E50 (1)

Weight, g/mol:

344.27153

ΔHf, kcal/mol:

-340.1

Dipole, Da:

8.0

IP(EA), eV:

 -9.12(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,5S,8S,10S,13S,14S,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,5,6,7,8,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)OCC1=CC=CC=C1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)N3CCC[C@H]3C(=O)O)N

DOS

IR

Vibrations