Geometry & MOs

Info

ID:	218340
PubChem CID:	85089203
Reduced:	SN2O2C10H13 (2)
Stoich.:	AB2C2D10E13 (2)
Weight, g/mol:	450.226007
ΔH_f, kcal/mol:	-127.86
Dipole, Da:	5.88
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-methyl-17-trimethylsilyloxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) propane-1-sulfonate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(=CC3CCCCC3)C4=CSC(=N4)N)C(=O)O)C

DOS

IR

Vibrations