Geometry & MOs

Info

ID:

181520

PubChem CID:

76755898

Reduced:

S2N3O8C37H55 (1)

Stoich.:

A2B3C8D37E55 (1)

Weight, g/mol:

472.330108

ΔHf, kcal/mol:

-298.5

Dipole, Da:

13.4

IP(EA), eV:

 -9.41(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-amino-13-(4-cyclopropyl-2-oxobutanoyl)-18,18-dimethyl-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione

Drug info:

PubChemData

Smile

CC1(C2C1C3C(=O)CC(CCCCCCCCCC(C(=O)N3C2)CC(=O)CC(C(=O)N(C)S(=O)(=O)C4=CC=CS4)C(C)(C)C)C(=O)C(=O)N)C

DOS

IR

Vibrations