Geometry & MOs

Info

ID:	417701
PubChem CID:	135102524
Reduced:	ClN2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	353.096476
ΔH_f, kcal/mol:	-147.84
Dipole, Da:	8.45
IP(EA), eV:	-9.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations