Geometry & MOs

Info

ID:	182320
PubChem CID:	76874621
Reduced:	ClNOSH10C13 (1)
Stoich.:	ABCDE10F13 (1)
Weight, g/mol:	292.099397
ΔH_f, kcal/mol:	22.5
Dipole, Da:	3.57
IP(EA), eV:	-8.83(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C=CC2=CC=C(S2)Cl

DOS

IR

Vibrations