Geometry & MOs

Info

ID:	310103
PubChem CID:	126574412
Reduced:	FON5C15H20 (1)
Stoich.:	ABC5D15E20 (1)
Weight, g/mol:	642.323977
ΔH_f, kcal/mol:	-22.66
Dipole, Da:	8.2
IP(EA), eV:	-9.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[2-(6-methoxy-1,3-benzothiazol-2-yl)-3,4-dihydro-1H-isoquinolin-6-yl]-2,6-dimethylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

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

CCN(C1=CN=NC=C1)C(=O)C2=C(N(N=C2)[C@@H](C)[C@H](C)F)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

CCN(C1=CN=NC=C1)C(=O)C2=C(N(N=C2)[C@@H](C)[C@H](C)F)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):