Geometry & MOs

Info

ID:

391869

PubChem CID:

135010394

Reduced:

NSH12C17 (2)

Stoich.:

ABC12D17 (2)

Weight, g/mol:

758.46185

ΔHf, kcal/mol:

164.8

Dipole, Da:

6.07

IP(EA), eV:

 -8.38(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14S)-4-N,14-N-bis(1-adamantyl)-2,6,12,16-tetraoxo-9-oxa-5,13-diazatetracyclo[15.5.1.11,19.117,21]pentacosane-4,14-dicarboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=S)NC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)NC(=S)C6=CC=CC=C6

DOS

IR

Vibrations