Geometry & MOs

Info

ID:	421291
PubChem CID:	135115727
Reduced:	O3N6C27H34 (1)
Stoich.:	A3B6C27D34 (1)
Weight, g/mol:	339.080826
ΔH_f, kcal/mol:	-82.64
Dipole, Da:	5.86
IP(EA), eV:	-8.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)sulfanyl-N-(2-hydroxyethyl)-N-[(3-methylimidazol-4-yl)methyl]acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N1)CC2=CC=CC=N2)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations