Geometry & MOs

Info

ID:	244122
PubChem CID:	99319073
Reduced:	SF2N3O6C18H19 (1)
Stoich.:	AB2C3D6E18F19 (1)
Weight, g/mol:	439.170748
ΔH_f, kcal/mol:	-269.43
Dipole, Da:	2.78
IP(EA), eV:	-9.6(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=C(O2)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations