Geometry & MOs

Info

ID:	178046
PubChem CID:	76269437
Reduced:	SN4O5C19H24 (1)
Stoich.:	AB4C5D19E24 (1)
Weight, g/mol:	454.129549
ΔH_f, kcal/mol:	-157.38
Dipole, Da:	3.54
IP(EA), eV:	-8.98(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OCC(=O)NC3=CC(=NN3C)C

DOS

IR

Vibrations