Geometry & MOs

Info

ID:	363892
PubChem CID:	127313549
Reduced:	NOC7H11 (3)
Stoich.:	ABC7D11 (3)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-141.18
Dipole, Da:	5.98
IP(EA), eV:	-8.79(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-7a-methyl-5-oxo-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3CC4CCCC(C3)C4=O

DOS

IR

Vibrations