Geometry & MOs

Info

ID:	418084
PubChem CID:	135103493
Reduced:	O5N9C27H31 (1)
Stoich.:	A5B9C27D31 (1)
Weight, g/mol:	357.118084
ΔH_f, kcal/mol:	-51.85
Dipole, Da:	14.26
IP(EA), eV:	-8.65(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-2-[(1,1-dioxothiolan-3-yl)-methylamino]acetamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C(=O)NCCN2C=CN=C2C3=CC(=C(C=C3)OC)OCCN(CC(=O)N1)C(=O)C4=NN5C=CC=NC5=N4

DOS

IR

Vibrations