Geometry & MOs

Info

ID:	423964
PubChem CID:	135120890
Reduced:	SO3N4C18H32 (1)
Stoich.:	AB3C4D18E32 (1)
Weight, g/mol:	394.15941
ΔH_f, kcal/mol:	-132.33
Dipole, Da:	6.42
IP(EA), eV:	-8.63(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(dimethylamino)ethyl]-N-[(2-methyl-1H-imidazol-5-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)C)S(=O)(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations