Geometry & MOs

Info

ID:	447672
PubChem CID:	135284630
Reduced:	FO3N5C20H24 (1)
Stoich.:	AB3C5D20E24 (1)
Weight, g/mol:	447.192484
ΔH_f, kcal/mol:	-105.78
Dipole, Da:	5.1
IP(EA), eV:	-8.65(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-chloro-4-[2-(oxolan-3-ylamino)pyridin-4-yl]phenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=CC(=C(C=C1)C2=CC(=NC3=CC=NN32)N)F)NC(=O)O

DOS

IR

Vibrations