Geometry & MOs

Info

ID:	166090
PubChem CID:	74636898
Reduced:	ClN2O5H15C17 (1)
Stoich.:	AB2C5D15E17 (1)
Weight, g/mol:	421.062496
ΔH_f, kcal/mol:	-149.92
Dipole, Da:	3.76
IP(EA), eV:	-9.49(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[3-(2-chlorophenyl)-2-(furan-2-carbonylamino)prop-2-enoyl]amino]-4-methylsulfanylbutanoate

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1Cl)NC(=O)C2=CC=CO2

DOS

IR

Vibrations