Geometry & MOs

Info

ID:	157053
PubChem CID:	56413094
Reduced:	SF2O3N6C22H28 (1)
Stoich.:	AB2C3D6E22F28 (1)
Weight, g/mol:	438.12458
ΔH_f, kcal/mol:	-165.37
Dipole, Da:	6.37
IP(EA), eV:	-9.21(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[2-chloro-4-(trifluoromethyl)anilino]-N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CCC(=O)NCCC4=NC=CN4C(F)F

DOS

IR

Vibrations