Geometry & MOs

Info

ID:	224225
PubChem CID:	85340270
Reduced:	FSO2N6H13C15 (1)
Stoich.:	ABC2D6E13F15 (1)
Weight, g/mol:	377.275236
ΔH_f, kcal/mol:	21.85
Dipole, Da:	3.01
IP(EA), eV:	-9.75(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(4-sulfanylbutylamino)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Drug info:

PubChemData

Smile

C1CC1(C#N)C2=C(C=C(C=C2)N3CC(OC3=O)CNC4=NN=NS4)F

DOS

IR

Vibrations