Geometry & MOs

Info

ID:	49221
PubChem CID:	11532003
Reduced:	N5O6C19H33 (1)
Stoich.:	A5B6C19D33 (1)
Weight, g/mol:	427.254501
ΔH_f, kcal/mol:	-303.91
Dipole, Da:	5.49
IP(EA), eV:	-9.36(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aS,4S,5aR,9aR,9bS,11aR)-2-(benzenesulfinyl)-4,6,9a,11a-tetramethyl-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-7-one

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

CC(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)CC(=O)N[C@@H](CC(=O)O)C(=O)N

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(=O)N[C@@H](CCCCN)C(=O)N1CCC(CC1)CC(=O)N[C@@H](CC(=O)O)C(=O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):