Geometry & MOs

Info

ID:	282935
PubChem CID:	103946292
Reduced:	SN2O2C11H18 (1)
Stoich.:	AB2C2D11E18 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-88.29
Dipole, Da:	5.47
IP(EA), eV:	-9.81(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyphenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide

Drug info:

PubChemData

Smile

CCC(C)(CCO)NC(=O)C1=CN=C(S1)C

DOS

IR

Vibrations