Geometry & MOs

Info

ID:	322691
PubChem CID:	126670840
Reduced:	ClF2O3N4H23C24 (1)
Stoich.:	AB2C3D4E23F24 (1)
Weight, g/mol:	604.1546
ΔH_f, kcal/mol:	-161.33
Dipole, Da:	2.7
IP(EA), eV:	-9.01(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S)-1-[2-[3-acetyl-5-(2-aminopyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromo-3-methylpyridin-2-yl)-3,4-dimethylpyrrolidine-2-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

CC1=CC2=C(C=C1)N(N=C2C(=O)C)CC(=O)N3C[C@@H](C[C@H]3C(=O)NCC4=C(C(=CC=C4)Cl)F)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

CC1=CC2=C(C=C1)N(N=C2C(=O)C)CC(=O)N3C[C@@H](C[C@H]3C(=O)NCC4=C(C(=CC=C4)Cl)F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):