Geometry & MOs

Info

ID:	218513
PubChem CID:	85089554
Reduced:	ClN2O4H23C27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	475.191877
ΔH_f, kcal/mol:	-45.6
Dipole, Da:	5.52
IP(EA), eV:	-8.88(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[4-[[5-fluoro-2-(4-fluorophenoxy)pyridine-3-carbonyl]amino]cyclohexyl]amino]-3-methyl-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=C(C#N)C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC(=CC=C3)OC4=CC(=CC=C4)Cl

DOS

IR

Vibrations