Geometry & MOs

Info

ID:	417959
PubChem CID:	135103176
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	342.124943
ΔH_f, kcal/mol:	-50.92
Dipole, Da:	3.08
IP(EA), eV:	-8.61(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(4-hydroxyphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)N2CCOCC2)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations