Geometry & MOs

Info

ID:	313562
PubChem CID:	126615893
Reduced:	SO3N5C21H35 (1)
Stoich.:	AB3C5D21E35 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-64.96
Dipole, Da:	2.45
IP(EA), eV:	-7.4(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(1,3-thiazol-2-yl)-5,6,8,9-tetrahydrooxepino[4,5-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CCN1C=C(NN1)S(C)(C)C)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations