Geometry & MOs

Info

ID:	60542
PubChem CID:	26697161
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	435.107519
ΔH_f, kcal/mol:	-84.92
Dipole, Da:	2.74
IP(EA), eV:	-8.69(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@@H](CCSC)NC(=O)C2=CC=CO2

DOS

IR

Vibrations