Geometry & MOs

Info

ID:	244203
PubChem CID:	99319354
Reduced:	BrF2N3O3H18C19 (1)
Stoich.:	AB2C3D3E18F19 (1)
Weight, g/mol:	495.163948
ΔH_f, kcal/mol:	-177.96
Dipole, Da:	3.69
IP(EA), eV:	-9.89(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NCCC(=O)NCCNC(=O)C2=C(C=C(C=C2)F)F)Br

DOS

IR

Vibrations