Geometry & MOs

Info

ID:	57224
PubChem CID:	22395504
Reduced:	ClNSO3C7H10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	490.365825
ΔH_f, kcal/mol:	-118.52
Dipole, Da:	2.86
IP(EA), eV:	-10.03(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(6-hydroxy-6-methylheptan-2-yl)-2-(3-hydroxypropoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol

Drug info:

PubChemData

Smile

CC1(C=CC(C(=C1)S(=O)(=O)O)N)Cl

DOS

IR

Vibrations