Geometry & MOs

Info

ID:	79592
PubChem CID:	49829650
Reduced:	N3O4H21C24 (1)
Stoich.:	A3B4C21D24 (1)
Weight, g/mol:	417.081698
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	5.7
IP(EA), eV:	-9.4(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-1-oxopropan-2-yl) 2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC(=C1)CNC(=O)C=CC2=CC=CC=C2)NC(=O)C3=CC=NC=C3

DOS

IR

Vibrations