Geometry & MOs

Info

ID:	214561
PubChem CID:	85083197
Reduced:	SN5O6C26H39 (1)
Stoich.:	AB5C6D26E39 (1)
Weight, g/mol:	549.331505
ΔH_f, kcal/mol:	-241.22
Dipole, Da:	2.62
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[[4-[3-[[butyl(methylcarbamoyl)amino]methyl]phenyl]phenyl]methyl]-2,5-dioxopiperazin-1-yl]-N-pentylacetamide

Drug info:

PubChemData

Smile

CC1CCC(C(=O)CN1S(=O)(=O)C2=CC=CC=N2)NC(=O)C(CC3(CCCC3)C)NC(=O)N4CCOCC4

DOS

IR

Vibrations