Geometry & MOs

Info

ID:	61975
PubChem CID:	26716434
Reduced:	O2N3C20H30 (1)
Stoich.:	A2B3C20D30 (1)
Weight, g/mol:	377.142722
ΔH_f, kcal/mol:	-83.34
Dipole, Da:	5.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754892
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-methylbenzoyl)amino]phenyl] 3-(2-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=C(C=C1)N2CCCC2=O)[NH+]3CCCCC3

DOS

IR

Vibrations