Geometry & MOs

Info

ID:	223596
PubChem CID:	85335289
Reduced:	ClSO3N4C21H27 (1)
Stoich.:	ABC3D4E21F27 (1)
Weight, g/mol:	450.14924
ΔH_f, kcal/mol:	-100.84
Dipole, Da:	3.18
IP(EA), eV:	-9.67(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[4-[(5-chlorothiophen-2-yl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-ethylbenzamide

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC=C(C=C2)Cl)CNC(=O)NCCC3=CC=CC=N3

DOS

IR

Vibrations