Geometry & MOs

Info

ID:	61130
PubChem CID:	26705925
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	386.049191
ΔH_f, kcal/mol:	-132.25
Dipole, Da:	5.52
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)NC(=O)C2=C(C=C(C=C2)Cl)N3CCCC3=O

DOS

IR

Vibrations