Geometry & MOs

Info

ID:	417091
PubChem CID:	135091299
Reduced:	O3N5C15H17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	321.114713
ΔH_f, kcal/mol:	62.31
Dipole, Da:	7.75
IP(EA), eV:	-9.49(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-2-(3-methoxyphenyl)sulfanylacetamide

Drug info:

PubChemData

Smile

CN(CC1=CC2=NON=C2C=C1)CC3=NOC(=N3)C4CCCO4

DOS

IR

Vibrations