Geometry & MOs

Info

ID:	419423
PubChem CID:	135108148
Reduced:	O5N6C36H48 (1)
Stoich.:	A5B6C36D48 (1)
Weight, g/mol:	344.115441
ΔH_f, kcal/mol:	-164.4
Dipole, Da:	8.39
IP(EA), eV:	-8.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(2-oxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)CC3=C(N=C4C=C(C=CC4=C3)C)N5CCOCC5

DOS

IR

Vibrations