Geometry & MOs

Info

ID:	180078
PubChem CID:	76572990
Reduced:	FO2N6C23H29 (1)
Stoich.:	AB2C6D23E29 (1)
Weight, g/mol:	394.148849
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	2.69
IP(EA), eV:	-8.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrrolo[2,3-d]pyrimidin-5-yl]-3-hydroxyprop-2-enoate

Drug info:

PubChemData

Smile

C1CC(CCC1NC2=NC=C3C(=N2)N(C(=N3)NC4=CC=CC=C4F)C5CCC(C5)CO)O

DOS

IR

Vibrations