Geometry & MOs

Info

ID:	136018
PubChem CID:	51966847
Reduced:	SN2O4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	385.147156
ΔH_f, kcal/mol:	-108.27
Dipole, Da:	2.1
IP(EA), eV:	-8.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-2-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSCC(=O)N[C@@H](C2CC2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations