Geometry & MOs

Info

ID:	444392
PubChem CID:	135262252
Reduced:	NSO4C13H13 (1)
Stoich.:	ABC4D13E13 (1)
Weight, g/mol:	801.340545
ΔH_f, kcal/mol:	-142.95
Dipole, Da:	6.53
IP(EA), eV:	-8.41(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[1,3-dioxo-2-(6-oxo-1H-pyridin-3-yl)isoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

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

CC1=CSC2=C(C=C3C(=C12)C[C@@H](CN3C(=O)O)O)O

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

CC1=CSC2=C(C=C3C(=C12)C[C@@H](CN3C(=O)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):