Geometry & MOs

Info

ID:	425669
PubChem CID:	135127296
Reduced:	F2N4O6H18C19 (1)
Stoich.:	A2B4C6D18E19 (1)
Weight, g/mol:	584.266206
ΔH_f, kcal/mol:	-298.31
Dipole, Da:	4.33
IP(EA), eV:	-9.38(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (7S)-3-[[(1S,3S)-1-(dimethylamino)-6-fluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-inden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-7-carboxylate

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

CN1C(=O)CC2=C1C=CC(=C2)C(=O)NC3=NC(=O)N(C=C3)C4C([C@@H](C(O4)CO)O)(F)F

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

CN1C(=O)CC2=C1C=CC(=C2)C(=O)NC3=NC(=O)N(C=C3)C4C([C@@H](C(O4)CO)O)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):