Geometry & MOs

Info

ID:	243916
PubChem CID:	99300598
Reduced:	SN2O4H22C26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	386.049191
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	7.3
IP(EA), eV:	-8.94(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl) 2-(2-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCN2C(=O)/C(=C\C3=CC=CC=C3)/SC2=O)C4=CC=CC=C4

DOS

IR

Vibrations