Geometry & MOs

Info

ID:	402957
PubChem CID:	135058050
Reduced:	IC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	501.01069
ΔH_f, kcal/mol:	8.86
Dipole, Da:	2.75
IP(EA), eV:	-9.17(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R,3R)-3-iodo-2-[(4-methylphenyl)sulfonylamino]-4-oxo-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/C/C=C/CI)/C)C

DOS

IR

Vibrations