Geometry & MOs

Info

ID:	128972
PubChem CID:	51064546
Reduced:	N3O4H19C22 (1)
Stoich.:	A3B4C19D22 (1)
Weight, g/mol:	387.125277
ΔH_f, kcal/mol:	-71.73
Dipole, Da:	4.67
IP(EA), eV:	-8.56(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methoxyphenyl)-3-(3-methoxypropyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)CC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC

DOS

IR

Vibrations