Geometry & MOs

Info

ID:	157704
PubChem CID:	56436637
Reduced:	FSN3O4C26H28 (1)
Stoich.:	ABC3D4E26F28 (1)
Weight, g/mol:	461.300205
ΔH_f, kcal/mol:	-139.38
Dipole, Da:	6.2
IP(EA), eV:	-8.7(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[[3-methyl-2-(phenylcarbamoylamino)butanoyl]amino]propyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)NC(=O)C(CC3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4F

DOS

IR

Vibrations