Geometry & MOs

Info

ID:	32872
PubChem CID:	7849032
Reduced:	FSN2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	403.121335
ΔH_f, kcal/mol:	-191.01
Dipole, Da:	8.93
IP(EA), eV:	-8.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C(=O)COC(=O)CN(C)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations