Geometry & MOs

Info

ID:	67362
PubChem CID:	46506353
Reduced:	SO5N6C23H24 (1)
Stoich.:	AB5C6D23E24 (1)
Weight, g/mol:	474.136176
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	5.28
IP(EA), eV:	-8.21(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[(2-cyanophenyl)methyl]-2,4-dioxothieno[3,2-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)NC(=O)CN2C3=C(C(=O)N(C2=O)CCCC(=O)NC4=CC=C(C=C4)OC)SC=C3

DOS

IR

Vibrations