Geometry & MOs

Info

ID:	165841
PubChem CID:	74604174
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	418.076947
ΔH_f, kcal/mol:	-136.74
Dipole, Da:	6.19
IP(EA), eV:	-9.14(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5,6-dimethyl-4-oxo-4aH-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(4-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)C(=O)C)OC(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

DOS

IR

Vibrations