Geometry & MOs

Info

ID:	244195
PubChem CID:	99319328
Reduced:	F2O2N5C19H21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	497.143213
ΔH_f, kcal/mol:	-124.63
Dipole, Da:	1.46
IP(EA), eV:	-8.99(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C2=NC=CC=N2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations