Geometry & MOs

Info

ID:	447637
PubChem CID:	135284388
Reduced:	ClSO3N4C22H25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	454.294391
ΔH_f, kcal/mol:	-70.57
Dipole, Da:	3.9
IP(EA), eV:	-8.84(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[4-[2-(cyclopropylamino)pyrimidin-4-yl]-2-methylphenoxy]-2,4-dimethylpentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)CC(C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)NC3=NC=CS3)Cl)NC(=O)O

DOS

IR

Vibrations