Geometry & MOs

Info

ID:	68907
PubChem CID:	46511525
Reduced:	FSO3N5C24H24 (1)
Stoich.:	ABC3D5E24F24 (1)
Weight, g/mol:	398.163043
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	6.93
IP(EA), eV:	-8.99(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-cyanophenyl)phenyl]methyl 2-[(3,4-dimethylbenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NOC(=N2)CSC3=NN=C(N3CC4CCCO4)C5=CC=C(C=C5)OC)F

DOS

IR

Vibrations