Geometry & MOs

Info

ID:	244148
PubChem CID:	99319111
Reduced:	N3O3F4H17C20 (1)
Stoich.:	A3B3C4D17E20 (1)
Weight, g/mol:	453.116998
ΔH_f, kcal/mol:	-266.42
Dipole, Da:	4.8
IP(EA), eV:	-9.04(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[(4-acetylphenyl)sulfonyl-methylamino]acetyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1[C@@H](CN(C1=O)C2=C(C=C(C=C2)F)F)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations