Geometry & MOs

Info

ID:	190105
PubChem CID:	77954517
Reduced:	OS2N6C23H28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	494.246396
ΔH_f, kcal/mol:	57.23
Dipole, Da:	0.46
IP(EA), eV:	-9.01(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[5-(1,3-benzothiazol-2-yl)-6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]ethyl]-3,4-dimethylpentan-1-ol

Drug info:

PubChemData

Smile

CC1CC(CC1NC2C(C(=NC(=N2)NCC3=NC=CS3)C)C4=NC5=CC=CC=C5S4)CO

DOS

IR

Vibrations