Geometry & MOs

Info

ID:	233901
PubChem CID:	92192319
Reduced:	SN2O2C18H24 (1)
Stoich.:	AB2C2D18E24 (1)
Weight, g/mol:	498.12275
ΔH_f, kcal/mol:	-52.5
Dipole, Da:	7.0
IP(EA), eV:	-8.12(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3S)-3-[(4-chloro-3-nitrophenyl)methyl-(4-methoxyphenyl)sulfonylamino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)CN[C@@H](CC(=O)O)C2=CC=CS2

DOS

IR

Vibrations