Geometry & MOs

Info

ID:	420274
PubChem CID:	135112180
Reduced:	O4N5C27H33 (1)
Stoich.:	A4B5C27D33 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	5.59
IP(EA), eV:	-8.76(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-acetamidophenyl)sulfanyl-N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2CCN1CC3=C(C(=CC=C3)OC)OCC4=CN(CCOC5=C(C=C(C=C5)C)C(=O)N2)N=N4

DOS

IR

Vibrations