Geometry & MOs

Info

ID:	157163
PubChem CID:	56422210
Reduced:	SN4O5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	448.102768
ΔH_f, kcal/mol:	-145.67
Dipole, Da:	7.36
IP(EA), eV:	-8.9(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-3-phenyl-1-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylamino]propan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NCC4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations