Geometry & MOs

Info

ID:	49550
PubChem CID:	11533221
Reduced:	SN3O6C24H29 (1)
Stoich.:	AB3C6D24E29 (1)
Weight, g/mol:	487.156577
ΔH_f, kcal/mol:	-181.1
Dipole, Da:	6.43
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethynyl-N-[1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=C(O2)C)COC3=CC=CC(=C3)C(C)N(CC(=O)O)S(=O)(=O)N(C)C

DOS

IR

Vibrations