Geometry & MOs

Info

ID:	317412
PubChem CID:	126637380
Reduced:	ClN4O5C25H25 (1)
Stoich.:	AB4C5D25E25 (1)
Weight, g/mol:	393.143704
ΔH_f, kcal/mol:	-116.16
Dipole, Da:	4.0
IP(EA), eV:	-9.04(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(quinolin-7-yloxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O[C@@H](C2O1)COC3=CC4=C(C=C3)C=CC(=N4)COC)N5C=CC6=C5N=CN=C6Cl)C

DOS

IR

Vibrations