Geometry & MOs

Info

ID:	404220
PubChem CID:	135065489
Reduced:	N5O6H19C20 (1)
Stoich.:	A5B6C19D20 (1)
Weight, g/mol:	374.074149
ΔH_f, kcal/mol:	-185.78
Dipole, Da:	8.79
IP(EA), eV:	-9.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-3-[3,5-bis(trifluoromethyl)phenyl]-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

C1[C@H]([C@H](O[C@H]1N2C(=O)NC34C2(N=C(NC3=O)N)OC5=C4C6=CC=CC=C6C=C5)CO)O

DOS

IR

Vibrations