Geometry & MOs

Info

ID:	55616
PubChem CID:	17395670
Reduced:	FN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	-164.27
Dipole, Da:	2.43
IP(EA), eV:	-9.03(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCN(CC(=O)NCC1=CC=C(C=C1)F)C(=O)C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations