Geometry & MOs

Info

ID:	44543
PubChem CID:	10503965
Reduced:	NSiO3C27H41 (1)
Stoich.:	ABC3D27E41 (1)
Weight, g/mol:	455.168578
ΔH_f, kcal/mol:	-178.08
Dipole, Da:	1.82
IP(EA), eV:	-8.74(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4aS,9R,10aR)-2-(4-chlorophenyl)sulfanyl-6,7-dimethoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-9-carbonitrile

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@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)[C@@H](CCO[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2

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@@H]([C@H](C1=CC=CC=C1)O)N(C)C(=O)[C@@H](CCO[Si](C)(C)C(C)(C)C)CC2=CC=CC=C2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):