Geometry & MOs

Info

ID:

168335

PubChem CID:

74953668

Reduced:

SO2F5N5H30C31 (1)

Stoich.:

AB2C5D5E30F31 (1)

Weight, g/mol:

420.310041

ΔHf, kcal/mol:

-200.7

Dipole, Da:

3.5

IP(EA), eV:

 -8.98(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl 4-methyl-4-[4-(2-oxo-3,4,4a,5,6,7,8,8a-octahydroquinazolin-1-yl)piperidin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2CN(CCC4=CC=CC=C4F)S(=O)(=O)C5=CN(N=C5C(F)(F)F)C)N(N=C3)C6=CC=C(C=C6)F

DOS

IR

Vibrations