Geometry & MOs

Info

ID:	138365
PubChem CID:	52355412
Reduced:	OF2N2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	389.138699
ΔH_f, kcal/mol:	-85.64
Dipole, Da:	4.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.759586
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]-2-fluorophenyl]acetamide

Drug info:

PubChemData

Smile

C1C[NH+](CC2=CC=CC=C21)CCCNC(=O)CCC3=C(C=CC(=C3)F)F

DOS

IR

Vibrations