Geometry & MOs

Info

ID:	54229
PubChem CID:	16955348
Reduced:	SN3O3C24H27 (1)
Stoich.:	AB3C3D24E27 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-41.01
Dipole, Da:	6.67
IP(EA), eV:	-8.17(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=NC(=CS2)C(=O)N3CCC(CC3)CC4=CC=CC=C4)OC

DOS

IR

Vibrations