Geometry & MOs

Info

ID:	151782
PubChem CID:	56310583
Reduced:	OSN3C20H21 (1)
Stoich.:	ABC3D20E21 (1)
Weight, g/mol:	418.167477
ΔH_f, kcal/mol:	60.24
Dipole, Da:	3.94
IP(EA), eV:	-8.79(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CN(CC2=CC=CO2)CC3=NC4=CC=CC=C4N3C

DOS

IR

Vibrations