Geometry & MOs

Info

ID:	244674
PubChem CID:	99376359
Reduced:	SN2O4H22C24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	465.081698
ΔH_f, kcal/mol:	-94.44
Dipole, Da:	2.97
IP(EA), eV:	-8.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(6-phenylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3

DOS

IR

Vibrations