Geometry & MOs

Info

ID:	353950
PubChem CID:	127285590
Reduced:	O2S2N3C12H17 (1)
Stoich.:	A2B2C3D12E17 (1)
Weight, g/mol:	328.153541
ΔH_f, kcal/mol:	-47.39
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-N-[4-(2-methyl-4-oxo-1H-pyrimidin-6-yl)phenyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)N3CCS(=O)CC3

DOS

IR

Vibrations