Geometry & MOs

Info

ID:	417352
PubChem CID:	135092523
Reduced:	ClNS2O5C15H16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	353.210327
ΔH_f, kcal/mol:	-194.46
Dipole, Da:	3.71
IP(EA), eV:	-9.08(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-methyl-1H-imidazol-5-yl)methyl-[(2-propoxynaphthalen-1-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N3CC[C@@H]([C@@H](C3)O)C(=O)O

DOS

IR

Vibrations