Geometry & MOs

Info

ID:	62012
PubChem CID:	26716970
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	480.092597
ΔH_f, kcal/mol:	-176.25
Dipole, Da:	6.0
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations