Geometry & MOs

Info

ID:	195060
PubChem CID:	78628440
Reduced:	NF4O4H17C19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	373.090784
ΔH_f, kcal/mol:	-335.97
Dipole, Da:	1.47
IP(EA), eV:	-9.01(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-[2-(2,6-difluoroanilino)-2-oxoethyl]sulfanyl-6-oxo-1,3-diazinan-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations