Geometry & MOs

Info

ID:	130293
PubChem CID:	51075528
Reduced:	O3N4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	327.104148
ΔH_f, kcal/mol:	-64.29
Dipole, Da:	7.14
IP(EA), eV:	-8.81(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCCC3

DOS

IR

Vibrations