Geometry & MOs

Info

ID:	164619
PubChem CID:	74426814
Reduced:	N4O5C15H30 (1)
Stoich.:	A4B5C15D30 (1)
Weight, g/mol:	469.127169
ΔH_f, kcal/mol:	-229.31
Dipole, Da:	1.46
IP(EA), eV:	-8.66(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[(2,4-difluorophenyl)methyl]-8-(2-oxopiperidin-3-yl)pyrrolo[3,2-e][1,3]benzothiazole-7-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CO)C(C(=O)NCCC(=O)NN1CCN(CC1)CCO)O

DOS

IR

Vibrations