Geometry & MOs

Info

ID:	323193
PubChem CID:	126673387
Reduced:	ClN3O4C19H22 (1)
Stoich.:	AB3C4D19E22 (1)
Weight, g/mol:	499.171182
ΔH_f, kcal/mol:	-146.48
Dipole, Da:	6.78
IP(EA), eV:	-8.93(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminobenzoyl)-N-[5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C(CC(=O)C2=C(C=C(C=C2)Cl)N)N

DOS

IR

Vibrations