Geometry & MOs

Info

ID:	323609
PubChem CID:	126675576
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	541.145361
ΔH_f, kcal/mol:	1.22
Dipole, Da:	2.02
IP(EA), eV:	-8.22(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[2-[[1-[(1-cyanocyclopropyl)carbamoyl]cyclohexyl]carbamoyl]-1-benzofuran-6-yl]-1,3-thiazol-2-yl]amino]ethanesulfinic acid

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)C3=CC=C(C=C3)COC4CCCC4

DOS

IR

Vibrations