Geometry & MOs

Info

ID:	49939
PubChem CID:	11538266
Reduced:	SO2F3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	386.152495
ΔH_f, kcal/mol:	-228.57
Dipole, Da:	3.23
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N'-(3-imidazol-1-yl-1,2,4-thiadiazol-5-yl)-N'-methylpropane-1,3-diamine

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@]1([C@@H](C2)O)CS/C=C(\C3=CC=C(C=C3)OC)/C(F)(F)F)C

DOS

IR

Vibrations