Geometry & MOs

Info

ID:	177851
PubChem CID:	76242568
Reduced:	FSN3O5C19H20 (1)
Stoich.:	ABC3D5E19F20 (1)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	-185.71
Dipole, Da:	7.44
IP(EA), eV:	-9.49(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)methyl 4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)F)C3CCS(=O)(=O)C3

DOS

IR

Vibrations