Geometry & MOs

Info

ID:	323629
PubChem CID:	126675617
Reduced:	ON8C22H30 (1)
Stoich.:	AB8C22D30 (1)
Weight, g/mol:	473.195071
ΔH_f, kcal/mol:	42.96
Dipole, Da:	4.28
IP(EA), eV:	-8.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(1-cyanocyclopropyl)amino]-1-oxopentan-2-yl]-6-[4-(3-hydroxyoxetan-3-yl)phenyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCCNC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)CC3=CC(=NC(=C3N)N)N

DOS

IR

Vibrations