Geometry & MOs

Info

ID:	176085
PubChem CID:	75992910
Reduced:	NSO22C33H49 (1)
Stoich.:	ABC22D33E49 (1)
Weight, g/mol:	298.076057
ΔH_f, kcal/mol:	-971.74
Dipole, Da:	7.25
IP(EA), eV:	-9.28(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)prop-2-enyl 3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)SNCC3C(C(C(C(O3)OC)O)O)O)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations