Geometry & MOs

Info

ID:	129569
PubChem CID:	51073137
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-86.95
Dipole, Da:	1.48
IP(EA), eV:	-9.13(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-5-oxo-N-quinolin-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)N(C2=O)CC(=O)NC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations