Geometry & MOs

Info

ID:	370131
PubChem CID:	127337502
Reduced:	ON6C21H36 (1)
Stoich.:	AB6C21D36 (1)
Weight, g/mol:	315.198048
ΔH_f, kcal/mol:	-21.7
Dipole, Da:	6.29
IP(EA), eV:	-8.47(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-oxo-N-[(1-propylpyrrolidin-3-yl)methyl]-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(C)(C)CNC(=O)N(C)C2CCCN(C2)C3=NN=CC=C3

DOS

IR

Vibrations