Geometry & MOs

Info

ID:	434771
PubChem CID:	135175688
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	681.235195
ΔH_f, kcal/mol:	-94.98
Dipole, Da:	3.72
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-[4-(4-chlorophenyl)phenyl]-1,1-difluoro-3-oxopropan-2-yl]-1-(cyclopentylmethyl)indazole-5-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@@H](C)N1C=C(C=N1)C2=C(C=C(C=C2F)N)C(=O)OCC

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@@H](C)N1C=C(C=N1)C2=C(C=C(C=C2F)N)C(=O)OCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):