Geometry & MOs

Info

ID:	136960
PubChem CID:	52130376
Reduced:	SN4O5H18C21 (1)
Stoich.:	AB4C5D18E21 (1)
Weight, g/mol:	401.163195
ΔH_f, kcal/mol:	-88.65
Dipole, Da:	9.91
IP(EA), eV:	-9.16(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-1-(4-chlorophenyl)-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]ethyl]-diethylazanium

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(O3)C=CC(=C4)OC

DOS

IR

Vibrations