Geometry & MOs

Info

ID:	36617
PubChem CID:	8009908
Reduced:	O2N3C23H27 (1)
Stoich.:	A2B3C23D27 (1)
Weight, g/mol:	387.149087
ΔH_f, kcal/mol:	-30.86
Dipole, Da:	1.75
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2,5-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=CC=CC=C12)C)CC(=O)NC[C@@H](C3=CC=CO3)N4CCCC4

DOS

IR

Vibrations