Geometry & MOs

Info

ID:	233917
PubChem CID:	92192439
Reduced:	SN2Cl3O4H21C23 (1)
Stoich.:	AB2C3D4E21F23 (1)
Weight, g/mol:	344.104208
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	6.5
IP(EA), eV:	-8.77(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S,3R)-3-methyl-2-[(4-nitrophenyl)sulfonylamino]pentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)N[C@@H](C(Cl)(Cl)Cl)NC(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations