Geometry & MOs

Info

ID:	152209
PubChem CID:	56311091
Reduced:	OSN5C19H23 (1)
Stoich.:	ABC5D19E23 (1)
Weight, g/mol:	447.161663
ΔH_f, kcal/mol:	22.83
Dipole, Da:	1.12
IP(EA), eV:	-8.75(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[1-(1-benzofuran-2-yl)ethyl-ethylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)NC(=O)C2CCN(CC2)CC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations