Geometry & MOs

Info

ID:	218853
PubChem CID:	85090068
Reduced:	SF3N3O4C24H34 (1)
Stoich.:	AB3C3D4E24F34 (1)
Weight, g/mol:	517.245786
ΔH_f, kcal/mol:	-333.66
Dipole, Da:	9.44
IP(EA), eV:	-8.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[6-methoxy-6-[5-[4-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)butylcarbamoyloxy]pentyl]dioxan-3-yl]acetate

Drug info:

PubChemData

Smile

CC(C)C1(CCC(C1)NC2CCOCC2)C(=O)N3CCC4=C(C3)C=C(C=C4S(=O)(=O)N)C(F)(F)F

DOS

IR

Vibrations