Geometry & MOs

Info

ID:	388989
PubChem CID:	134990828
Reduced:	ClSN2O5C18H33 (1)
Stoich.:	ABC2D5E18F33 (1)
Weight, g/mol:	352.203845
ΔH_f, kcal/mol:	-270.59
Dipole, Da:	8.12
IP(EA), eV:	-9.05(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,13S,14S,17R)-13-ethyl-17-ethynylspiro[1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,2'-1,3-dioxolane]-17-ol

Drug info:

PubChemData

Smile

CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H](C2C(C(C(C(O2)SC)O)O)O)[C@H](C)Cl

DOS

IR

Vibrations