Geometry & MOs

Info

ID:	335854
PubChem CID:	127254716
Reduced:	ClNO3H30C37 (1)
Stoich.:	ABC3D30E37 (1)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-4.53
Dipole, Da:	6.15
IP(EA), eV:	-8.43(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-6-pyrrol-1-ylhexanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=C(C=C4)C=C(C=C5)Cl)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)C(C)C

DOS

IR

Vibrations