Geometry & MOs

Info

ID:	414253
PubChem CID:	135087209
Reduced:	F2O2N5C14H15 (1)
Stoich.:	A2B2C5D14E15 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-105.35
Dipole, Da:	4.55
IP(EA), eV:	-9.42(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)C2=NNC(=C2)C(F)F)O)CC3=NC=CN=C3

DOS

IR

Vibrations