Geometry & MOs

Info

ID:	134186
PubChem CID:	51659134
Reduced:	S2O3N4C20H21 (1)
Stoich.:	A2B3C4D20E21 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-18.16
Dipole, Da:	5.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883778
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CCO/C(=C(\C1=NC(=CS1)C)/C(=O)CSC2=NN=C(N2C3=CC=CC(=C3)C)C)/[O-]

DOS

IR

Vibrations