Geometry & MOs

Info

ID:	80877
PubChem CID:	49846707
Reduced:	O2N5C26H45 (1)
Stoich.:	A2B5C26D45 (1)
Weight, g/mol:	449.088865
ΔH_f, kcal/mol:	-97.84
Dipole, Da:	2.61
IP(EA), eV:	-8.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[2-(2-chlorophenyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]-3-[2-[1-(2,2-difluoroethyl)imidazol-4-yl]ethyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CCCCCCCNC(=O)NC2=CC=NC=C2)CCCN3CCOCC3

DOS

IR

Vibrations