Geometry & MOs

Info

ID:	419455
PubChem CID:	135108201
Reduced:	ON3C21H29 (1)
Stoich.:	AB3C21D29 (1)
Weight, g/mol:	374.126006
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	3.76
IP(EA), eV:	-8.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)CN2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O)C)C

DOS

IR

Vibrations