Geometry & MOs

Info

ID:	148226
PubChem CID:	53787888
Reduced:	SN2O5H14C15 (1)
Stoich.:	AB2C5D14E15 (1)
Weight, g/mol:	464.198759
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	7.95
IP(EA), eV:	-9.52(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(4-methoxyphenyl)phenyl] 4-(4-pent-1-enoxyphenyl)benzoate

Drug info:

PubChemData

Smile

C1C=C(N2[C@@H](S1)C(C2=O)NC(=O)COC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations