Geometry & MOs

Info

ID:	323613
PubChem CID:	126675582
Reduced:	N4O4C29H30 (1)
Stoich.:	A4B4C29D30 (1)
Weight, g/mol:	497.24269
ΔH_f, kcal/mol:	-67.82
Dipole, Da:	4.63
IP(EA), eV:	-9.24(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[N'-(1-cyanocyclopropyl)carbamimidoyl]cyclohexyl]-6-[4-(3-hydroxyazetidin-3-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N(C)C1=CC=C(C=C1)C2=CC3=C(C=C2)C=C(O3)C(=O)NC4(CCCCC4)C(=O)NC5(CC5)C#N

DOS

IR

Vibrations