Geometry & MOs

Info

ID:	166984
PubChem CID:	74761355
Reduced:	FS2N4O5C20H21 (1)
Stoich.:	AB2C4D5E20F21 (1)
Weight, g/mol:	492.204256
ΔH_f, kcal/mol:	-165.42
Dipole, Da:	7.41
IP(EA), eV:	-9.23(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C#N)NS(=O)(=O)C3=CC=CC=C3F

DOS

IR

Vibrations