Geometry & MOs

Info

ID:	160569
PubChem CID:	57389074
Reduced:	FNCl2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	630.203623
ΔH_f, kcal/mol:	-32.28
Dipole, Da:	2.59
IP(EA), eV:	-9.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(1R,3S)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-yl]amino]cyclohexyl]-3-fluoropyrrolidine-1-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

CC(C)(C)C1=CC=C(C=C1)C(C2=C(C=NC=C2Cl)Cl)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

CC(C)(C)C1=CC=C(C=C1)C(C2=C(C=NC=C2Cl)Cl)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):