Geometry & MOs

Info

ID:	444445
PubChem CID:	135262456
Reduced:	SP2N4O7C20H24 (1)
Stoich.:	AB2C4D7E20F24 (1)
Weight, g/mol:	553.038621
ΔH_f, kcal/mol:	-347.81
Dipole, Da:	4.16
IP(EA), eV:	-8.94(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)NC2=CC=CC(=C2)C3=NC(=C4C=CSC4=N3)NC(P(=O)(O)O)P(=O)(O)O

DOS

IR

Vibrations