Geometry & MOs

Info

ID:	388882
PubChem CID:	134990520
Reduced:	N5O7C29H39 (1)
Stoich.:	A5B7C29D39 (1)
Weight, g/mol:	266.13068
ΔH_f, kcal/mol:	-293.49
Dipole, Da:	4.33
IP(EA), eV:	-9.54(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-benzylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)C(=O)N)N

DOS

IR

Vibrations