Geometry & MOs

Info

ID:	244140
PubChem CID:	99319097
Reduced:	ClF2N3O4C22H22 (1)
Stoich.:	AB2C3D4E22F22 (1)
Weight, g/mol:	423.139448
ΔH_f, kcal/mol:	-227.85
Dipole, Da:	4.88
IP(EA), eV:	-9.25(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-benzamidobenzoyl)amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations