Geometry & MOs

Info

ID:	162733
PubChem CID:	57552003
Reduced:	ClSO2N7F8H20C23 (1)
Stoich.:	ABC2D7E8F20G23 (1)
Weight, g/mol:	406.344695
ΔH_f, kcal/mol:	-396.77
Dipole, Da:	10.31
IP(EA), eV:	-9.11(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-didecoxyphenol

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1NC(=O)C2=C(C(=CC=C2)Cl)C(=O)N[C@@H](C)CSC)CN3C(=NC(=N3)C(C(F)(F)F)(F)F)C(F)(F)F

DOS

IR

Vibrations