Geometry & MOs

Info

ID:	67634
PubChem CID:	46506858
Reduced:	SN2O3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	425.177313
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	7.47
IP(EA), eV:	-8.9(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-N-(3-phenylpropyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(S(=O)(=O)C1)C2=CC=C(C=C2)C(=O)NCCCC3=CC=CC=C3

DOS

IR

Vibrations