Geometry & MOs

Info

ID:	230081
PubChem CID:	87570067
Reduced:	N2C9H18 (1)
Stoich.:	A2B9C18 (1)
Weight, g/mol:	688.153165
ΔH_f, kcal/mol:	-6.97
Dipole, Da:	4.1
IP(EA), eV:	-8.53(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(10S,11S,13S,17R)-9-fluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 4-[(3-chloro-4-hydroxyphenyl)sulfanylmethyl]benzoate

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

CC(C)N/C(=C\C(=NC)C)/C

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

CC(C)N/C(=C\C(=NC)C)/C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):