Geometry & MOs

Info

ID:	159213
PubChem CID:	57264402
Reduced:	O2N3H23C26 (1)
Stoich.:	A2B3C23D26 (1)
Weight, g/mol:	402.218843
ΔH_f, kcal/mol:	56.24
Dipole, Da:	2.97
IP(EA), eV:	-8.61(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[2-(propylsulfonylamino)propyl]cyclopentanecarbonyl]amino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)O)N(C2=CC=CC=C2)C3=NC=NC4=C3C=C(C=C4)C#CC(C)(C)O

DOS

IR

Vibrations