Geometry & MOs

Info

ID:	188448
PubChem CID:	77719152
Reduced:	ClFNO6C26H27 (1)
Stoich.:	ABCD6E26F27 (1)
Weight, g/mol:	437.133317
ΔH_f, kcal/mol:	-258.12
Dipole, Da:	9.8
IP(EA), eV:	-9.01(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2,3-difluorophenyl)methylsulfanyl]-4-(1-hydroxypropan-2-ylamino)-7,8-dihydropteridine-7-carboxylate

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)OC3=C(C=C(C=C3)F)C(=O)O)OC1CNCC(COC4=CC=CC=C4)O.Cl

DOS

IR

Vibrations