Geometry & MOs

Info

ID:	43832
PubChem CID:	10321859
Reduced:	ClNO3C10H11 (2)
Stoich.:	ABC3D10E11 (2)
Weight, g/mol:	456.01433
ΔH_f, kcal/mol:	-257.11
Dipole, Da:	7.86
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(5-bromo-2-hydroxyphenyl)-7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)COC(=O)N)C(=O)OC)C2=C(C(=CC=C2)Cl)Cl)C(=O)OC(C)C

DOS

IR

Vibrations