Geometry & MOs

Info

ID:	162170
PubChem CID:	57393824
Reduced:	ClOF3N6H12C21 (1)
Stoich.:	ABC3D6E12F21 (1)
Weight, g/mol:	526.220283
ΔH_f, kcal/mol:	-57.31
Dipole, Da:	5.02
IP(EA), eV:	-9.13(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R)-4-hydroxy-2,3-bis[(4-hydroxy-3-methoxyphenyl)methyl]butyl] 2-(4-hydroxy-3-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

C1=CC2=C3C=NC=CC3=C(N=C2C(=C1)C4=NC=NN4)NC5=C(C=C(C=C5)OC(F)(F)F)Cl

DOS

IR

Vibrations