Geometry & MOs

Info

ID:	175714
PubChem CID:	75940438
Reduced:	SN3O3C21H34 (1)
Stoich.:	AB3C3D21E34 (1)
Weight, g/mol:	409.159076
ΔH_f, kcal/mol:	-105.22
Dipole, Da:	2.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752694
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3-chlorophenyl)-2-methylpropyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

CC(C)[NH+]1CCCC(C1)CNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations