Geometry & MOs

Info

ID:	67199
PubChem CID:	46506046
Reduced:	SN3O3C19H21 (1)
Stoich.:	AB3C3D19E21 (1)
Weight, g/mol:	359.093977
ΔH_f, kcal/mol:	-102.0
Dipole, Da:	8.19
IP(EA), eV:	-9.22(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[(4-methoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

CC(CCC1=CC=CC=C1)NC(=O)CCN2C(=O)C3=C(C=CS3)NC2=O

DOS

IR

Vibrations