Geometry & MOs

Info

ID:	52520
PubChem CID:	12015410
Reduced:	C9H10 (6)
Stoich.:	A9B10 (6)
Weight, g/mol:	347.119129
ΔH_f, kcal/mol:	140.71
Dipole, Da:	1.48
IP(EA), eV:	-8.85(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzenesulfonyl)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1(C2(C1(C3C2CCC3)C4=CC(=CC(=C4)C56C7CCCC7C5(C6(C)C)C8=CC=CC=C8)C91C2CCCC2C9(C1(C)C)C1=CC=CC=C1)C1=CC=CC=C1)C

DOS

IR

Vibrations