Geometry & MOs

Info

ID:	80710
PubChem CID:	49836127
Reduced:	O2N8H34C39 (1)
Stoich.:	A2B8C34D39 (1)
Weight, g/mol:	352.167459
ΔH_f, kcal/mol:	177.04
Dipole, Da:	4.05
IP(EA), eV:	-8.24(-2.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,3-diphenyl-2-(propanoyloxymethyl)prop-2-enyl] propanoate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4[C@H]([C@@H](C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=C(C#N)C#N)C5)CCC(=O)OC)C)C)C=C(C#N)C#N)C

DOS

IR

Vibrations