Geometry & MOs

Info

ID:	366396
PubChem CID:	127319877
Reduced:	N3O4C20H25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	361.146013
ΔH_f, kcal/mol:	-148.33
Dipole, Da:	3.06
IP(EA), eV:	-9.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7a-methyl-5-oxo-N-(oxolan-2-ylmethyl)-N-pyridin-4-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)N(CC3CCCO3)C4=CC=NC=C4

DOS

IR

Vibrations