Geometry & MOs

Info

ID:	42083
PubChem CID:	8149160
Reduced:	OSN3H21C25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	407.070655
ΔH_f, kcal/mol:	47.85
Dipole, Da:	1.8
IP(EA), eV:	-8.59(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyethyl 2-[(4-chloroanilino)methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CNC4=CC5=CC=CC=C5C=C4)C

DOS

IR

Vibrations