Geometry & MOs

Info

ID:

237751

PubChem CID:

92721276

Reduced:

SO2N4C27H42 (1)

Stoich.:

AB2C4D27E42 (1)

Weight, g/mol:

472.287198

ΔHf, kcal/mol:

-76.3

Dipole, Da:

5.92

IP(EA), eV:

 -8.38(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-10-[2-[butyl(ethyl)amino]ethyl]-N-cycloheptyl-11-methyl-9-oxo-5-thia-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide

Drug info:

PubChemData

Smile

CCCN(CCC)CCCN1C(=O)C2=CC3=C(N2C[C@]1(C)C(=O)NC4CCCCCC4)C=CS3

DOS

IR

Vibrations