Geometry & MOs

Info

ID:	193309
PubChem CID:	78374309
Reduced:	SCl2N2O5H14C15 (1)
Stoich.:	AB2C2D5E14F15 (1)
Weight, g/mol:	469.124232
ΔH_f, kcal/mol:	-174.75
Dipole, Da:	4.86
IP(EA), eV:	-8.89(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-benzyl-5-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]-3-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1C(C(NC(=S)N1)C(=O)OC)C(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations