Geometry & MOs

Info

ID:	302831
PubChem CID:	124397092
Reduced:	O3C5H8 (3)
Stoich.:	A3B5C8 (3)
Weight, g/mol:	350.118795
ΔH_f, kcal/mol:	-415.35
Dipole, Da:	6.67
IP(EA), eV:	-9.58(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,13S,14S,17R)-17-hydroxy-13-methyl-6,9,11,12,14,15,16,17-octahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@]1(CC[C@@H]2[C@H]1[C@H](OC=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@](O3)(CO)O)O)O)O)O

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@]1(CC[C@@H]2[C@H]1[C@H](OC=C2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@@](O3)(CO)O)O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):