Geometry & MOs

Info

ID:	44559
PubChem CID:	10504061
Reduced:	ClNSO4C24H24 (1)
Stoich.:	ABCD4E24F24 (1)
Weight, g/mol:	458.093254
ΔH_f, kcal/mol:	-113.43
Dipole, Da:	4.89
IP(EA), eV:	-9.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(3-nitro-4-trimethylsilyloxyphenyl)-2-(2,2,3,3,3-pentafluoropropanoylamino)propanoate

Drug info:

PubChemData

Smile

COC(=O)CCCC1=CC=C(C=C1)C(C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations