Geometry & MOs

Info

ID:	173351
PubChem CID:	75625900
Reduced:	ClO2N3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	319.044919
ΔH_f, kcal/mol:	2.07
Dipole, Da:	4.23
IP(EA), eV:	-8.91(-1.38)
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]-2-thiophen-2-ylacetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=C2C(=O)OC(=N2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations