Geometry & MOs

Info

ID:	226716
PubChem CID:	87557054
Reduced:	NPO3C20H42 (1)
Stoich.:	ABC3D20E42 (1)
Weight, g/mol:	462.112678
ΔH_f, kcal/mol:	-255.09
Dipole, Da:	8.66
IP(EA), eV:	-8.91(1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-5-[7-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-1-benzothiophen-3-yl]pent-3-enyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CCCCP(CCCC)(CCCC)(CCCC)OC(=O)CNC(=O)C

DOS

IR

Vibrations