Geometry & MOs

Info

ID:	219745
PubChem CID:	85164752
Reduced:	SiO6C33H60 (1)
Stoich.:	AB6C33D60 (1)
Weight, g/mol:	413.142322
ΔH_f, kcal/mol:	-406.34
Dipole, Da:	6.11
IP(EA), eV:	-8.85(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-pteridin-6-yl)methyl 4-[3-(trifluoromethyl)diazirin-3-yl]benzoate

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C3CCC(O3)C4CCC(=O)O4)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations