Geometry & MOs

Info

ID:	244179
PubChem CID:	99319228
Reduced:	F3O3N4H17C21 (1)
Stoich.:	A3B3C4D17E21 (1)
Weight, g/mol:	421.127169
ΔH_f, kcal/mol:	-167.15
Dipole, Da:	8.49
IP(EA), eV:	-9.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoyl]amino]ethyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)NCCNC(=O)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations