Geometry & MOs

Info

ID:	32851
PubChem CID:	7848915
Reduced:	SN2O4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	422.131171
ΔH_f, kcal/mol:	-76.73
Dipole, Da:	1.65
IP(EA), eV:	-9.04(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC=C)CC3=CC=CO3

DOS

IR

Vibrations