Geometry & MOs

Info

ID:

59600

PubChem CID:

24877992

Reduced:

FN4H19C23 (1)

Stoich.:

AB4C19D23 (1)

Weight, g/mol:

422.187543

ΔHf, kcal/mol:

83.96

Dipole, Da:

4.12

IP(EA), eV:

 -8.85(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3aR,5S,6R,6aR)-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-(2,6-dimethylphenyl)thiourea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1C2=CN=C(C=C2)F)N(C3=CN=CC=C3)C4=CN=CC=C4

DOS

IR

Vibrations