Geometry & MOs

Info

ID:	196487
PubChem CID:	78836965
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-53.4
Dipole, Da:	3.51
IP(EA), eV:	-8.48(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C

DOS

IR

Vibrations