Geometry & MOs

Info

ID:	135018
PubChem CID:	51798565
Reduced:	ClSN2O5C25H27 (1)
Stoich.:	ABC2D5E25F27 (1)
Weight, g/mol:	535.268236
ΔH_f, kcal/mol:	-148.0
Dipole, Da:	7.3
IP(EA), eV:	-9.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(5-methylfuran-2-yl)methyl]-N-[(1S)-1-(4-nitrophenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCCC(=O)N(C1=CC(=CC=C1)Cl)[C@@H](C2=CC=CO2)C(=O)NCS(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations