Geometry & MOs

Info

ID:	188772
PubChem CID:	77763908
Reduced:	O2N3C28H35 (1)
Stoich.:	A2B3C28D35 (1)
Weight, g/mol:	641.291691
ΔH_f, kcal/mol:	-34.23
Dipole, Da:	4.41
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(butylsulfamoyl)-1-cyclohexyl-3,4-dihydroxypentan-2-yl]amino]-3-[1-(2-phenylethylsulfonyl)imidazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CCCCCCOC(=O)C1=C(N=C2C(C1C3=CC=CC(=C3C)C)C(NN2)C4=CC=CC=C4)C

DOS

IR

Vibrations