Geometry & MOs

Info

ID:	447690
PubChem CID:	135284813
Reduced:	BrO2N6C26H27 (1)
Stoich.:	AB2C6D26E27 (1)
Weight, g/mol:	455.199111
ΔH_f, kcal/mol:	9.76
Dipole, Da:	3.45
IP(EA), eV:	-8.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-dimethyl-1-[2-methyl-4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]phenoxy]pentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)N(C)C2=NC3=C(C(=O)NC=C3Br)C(=N2)NC4=CC(=CC=C4)OC5=CC=CC=C5

DOS

IR

Vibrations