Geometry & MOs

Info

ID:	67198
PubChem CID:	46506045
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	371.130363
ΔH_f, kcal/mol:	-205.82
Dipole, Da:	4.88
IP(EA), eV:	-9.18(-1.35)
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-phenylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)CCCN2C(=O)C3=C(C=CS3)NC2=O

DOS

IR

Vibrations