Geometry & MOs

Info

ID:	140433
PubChem CID:	52696636
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	420.146741
ΔH_f, kcal/mol:	-67.26
Dipole, Da:	5.49
IP(EA), eV:	-8.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-(2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(O2)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations