Geometry & MOs

Info

ID:	219686
PubChem CID:	85164503
Reduced:	N4O7C28H52 (1)
Stoich.:	A4B7C28D52 (1)
Weight, g/mol:	556.297094
ΔH_f, kcal/mol:	-409.77
Dipole, Da:	3.57
IP(EA), eV:	-9.29(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-4-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-[4-(4-methylsulfinylphenyl)phenyl]hexanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CC(CNC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OC(C)(C)C)N

DOS

IR

Vibrations