Geometry & MOs

Info

ID:	425864
PubChem CID:	135128375
Reduced:	SN3F9O14C67H72 (1)
Stoich.:	AB3C9D14E67F72 (1)
Weight, g/mol:	370.178024
ΔH_f, kcal/mol:	-904.31
Dipole, Da:	4.9
IP(EA), eV:	-8.6(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-formyl-4-methylphenyl) 4-(6-methoxyhexoxy)benzoate

Drug info:

Smile

C=CC(=O)OCCCCCCOC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C(=O)COC3=CC(=C(C=C3)OC(=O)C4CCC(CC4)C(=O)OC5=CC=C(C=C5)OCCCCCCOC(=O)C=C)/C=N/N(CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C6=NC7=CC=CC=C7S6

DOS

IR

Vibrations