Geometry & MOs

Info

ID:	349137
PubChem CID:	127274863
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	394.142324
ΔH_f, kcal/mol:	-134.93
Dipole, Da:	7.76
IP(EA), eV:	-8.42(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoyl]-N,N-dimethyl-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1CSCN1C(=O)CCC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations