Geometry & MOs

Info

ID:	431851
PubChem CID:	135171965
Reduced:	ClSO2N4C24H35 (1)
Stoich.:	ABC2D4E24F35 (1)
Weight, g/mol:	491.235098
ΔH_f, kcal/mol:	-66.85
Dipole, Da:	5.49
IP(EA), eV:	-8.27(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[5-[(6-chloropyridin-3-yl)amino]-2-fluoro-4-[2-methylpropyl(oxan-4-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@@H](C)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)Cl

DOS

IR

Vibrations