Geometry & MOs

Info

ID:	366429
PubChem CID:	127319918
Reduced:	N4O5C18H22 (1)
Stoich.:	A4B5C18D22 (1)
Weight, g/mol:	363.136511
ΔH_f, kcal/mol:	-177.14
Dipole, Da:	7.57
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanoylamino]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C2=CC3=C(C=C2)OCO3)C(=O)NC4CCN(C4)C(=O)N

DOS

IR

Vibrations