Geometry & MOs

Info

ID:	125494
PubChem CID:	50926501
Reduced:	SO3N5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	2.91
IP(EA), eV:	-8.96(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2,3-dimethylphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N,N-dipropylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=O)C3=C(C=CS3)N(C2=O)CC(=O)NC4=NNC(=C4)C

DOS

IR

Vibrations