Geometry & MOs

Info

ID:	422698
PubChem CID:	135118265
Reduced:	SO2N4C19H20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	402.226705
ΔH_f, kcal/mol:	23.67
Dipole, Da:	4.65
IP(EA), eV:	-9.29(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2-hydroxyethyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]methyl]phenoxy]-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)CN3N=C4C=CC=CC4=N3)C5=C1SC=C5

DOS

IR

Vibrations