Geometry & MOs

Info

ID:	62263
PubChem CID:	26718710
Reduced:	O2N3C23H24 (1)
Stoich.:	A2B3C23D24 (1)
Weight, g/mol:	436.145678
ΔH_f, kcal/mol:	0.01
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.949690
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-[3-oxo-3-(4-phenylmethoxyanilino)propyl]-4-thiophen-2-ylbutanamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C(C=CC=[NH+]2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations