Geometry & MOs

Info

ID:	244141
PubChem CID:	99319100
Reduced:	F2N3O3H19C23 (1)
Stoich.:	A2B3C3D19E23 (1)
Weight, g/mol:	422.04415
ΔH_f, kcal/mol:	-146.72
Dipole, Da:	5.76
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-(3-bromophenyl)cyclopropanecarbonyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations