Geometry & MOs

Info

ID:	370475
PubChem CID:	127339002
Reduced:	NOC4H6 (4)
Stoich.:	ABC4D6 (4)
Weight, g/mol:	377.120941
ΔH_f, kcal/mol:	-189.66
Dipole, Da:	6.43
IP(EA), eV:	-9.56(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC12C(=O)N(C(=O)N2)CC(=O)NC3CCN(C3=O)C

DOS

IR

Vibrations