Geometry & MOs

Info

ID:	243296
PubChem CID:	99218238
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	431.007758
ΔH_f, kcal/mol:	-155.17
Dipole, Da:	7.68
IP(EA), eV:	-9.23(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=C(C=C(C=C1)NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)Cl

DOS

IR

Vibrations