Geometry & MOs

Info

ID:	444444
PubChem CID:	135262454
Reduced:	SP2N3O8C29H35 (1)
Stoich.:	AB2C3D8E29F35 (1)
Weight, g/mol:	526.084094
ΔH_f, kcal/mol:	-370.54
Dipole, Da:	3.02
IP(EA), eV:	-9.01(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[[2-[3-(cyclohexanecarbonylamino)phenyl]thieno[2,3-d]pyrimidin-4-yl]amino]-phosphonomethyl]phosphonic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C(NC1=C2C=CSC2=NC(=N1)C3=CC(=CC=C3)C(=O)OCC4=CC=CC=C4)P(=O)(OCC)OCC)OCC

DOS

IR

Vibrations