Geometry & MOs

Info

ID:	166255
PubChem CID:	74657116
Reduced:	SCl2O2N4H10C14 (1)
Stoich.:	AB2C2D4E10F14 (1)
Weight, g/mol:	381.060569
ΔH_f, kcal/mol:	16.93
Dipole, Da:	7.23
IP(EA), eV:	-9.34(-1.62)
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]-3-phenylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C(=N1)C=CS2)C(=O)C3=C(C=CC(=N3)Cl)Cl

DOS

IR

Vibrations