Geometry & MOs

Info

ID:

181518

PubChem CID:

76755616

Reduced:

S2O5N10H42C44 (1)

Stoich.:

A2B5C10D42E44 (1)

Weight, g/mol:

495.262575

ΔHf, kcal/mol:

-20.16

Dipole, Da:

6.17

IP(EA), eV:

 -8.84(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

3-aminochloranuidyl-18,18-dimethyl-13-(2-oxohex-5-enoyl)-5-oxa-1-azatricyclo[14.4.0.017,19]icosane-2,15-dione

Drug info:

PubChemData

Smile

CC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C3=NC=C(N3)C4=NC5=C(S4)N=C(S5)C6=CC=C(C=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C9=CC=CC=C9)NC(=O)CO

DOS

IR

Vibrations