Geometry & MOs

Info

ID:	245651
PubChem CID:	99455800
Reduced:	SO2N5C25H35 (1)
Stoich.:	AB2C5D25E35 (1)
Weight, g/mol:	469.251147
ΔH_f, kcal/mol:	-38.87
Dipole, Da:	3.19
IP(EA), eV:	-8.72(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-6-(2,5-dimethylthiophen-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

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]1CN(C[C@@H](O1)C)[C@H](C)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=C(SC(=C4)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

C[C@@H]1CN(C[C@@H](O1)C)[C@H](C)CNC(=O)C2=CC(=NC3=C2C=NN3C(C)C)C4=C(SC(=C4)C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):