Geometry & MOs

Info

ID:	240978
PubChem CID:	93618733
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	347.159354
ΔH_f, kcal/mol:	-53.9
Dipole, Da:	1.14
IP(EA), eV:	-8.42(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1,3-dimethyl-5-[2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NC[C@@H]4CCCO4

DOS

IR

Vibrations