Geometry & MOs

Info

ID:	189186
PubChem CID:	77825738
Reduced:	ClSN3O4C26H30 (1)
Stoich.:	ABC3D4E26F30 (1)
Weight, g/mol:	550.145984
ΔH_f, kcal/mol:	-142.39
Dipole, Da:	1.18
IP(EA), eV:	-8.42(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[(4-chlorophenyl)methyl]-2,3-dihydrothiophen-2-yl]methyl]-N'-[1-(3-chlorophenyl)propyl]-N'-ethyl-2,3-dihydroxybutanediamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C(C(C(=O)NCC2CC=C(S2)CC3=CC=CC=C3Cl)O)O)C4=CC(=CC=C4)N

DOS

IR

Vibrations