Geometry & MOs

Info

ID:	433719
PubChem CID:	135173859
Reduced:	BrN3O4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	827.302508
ΔH_f, kcal/mol:	-83.9
Dipole, Da:	11.03
IP(EA), eV:	-8.76(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[5-[[1-[2-[1,3-dioxo-2-(2-oxopiperidin-3-yl)isoindol-4-yl]oxyethyl]piperidin-4-yl]-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide

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)OC(=O)COCCOC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)Br

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)OC(=O)COCCOC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=NC=C3)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):