Geometry & MOs

Info

ID:	173352
PubChem CID:	75626396
Reduced:	O2S2N3H13C14 (1)
Stoich.:	A2B2C3D13E14 (1)
Weight, g/mol:	351.024454
ΔH_f, kcal/mol:	19.2
Dipole, Da:	3.71
IP(EA), eV:	-9.1(-2.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-N-methyl-N-[(4-oxo-4aH-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2C(=N1)C=CS2)C(=O)CC3=CC=CS3

DOS

IR

Vibrations