Geometry & MOs

Info

ID:

420100

PubChem CID:

135111142

Reduced:

ClO3N4C18H19 (1)

Stoich.:

AB3C4D18E19 (1)

Weight, g/mol:

553.301267

ΔHf, kcal/mol:

-54.06

Dipole, Da:

3.66

IP(EA), eV:

 -9.48(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-5,17-dimethyl-10-[(2R)-oxolane-2-carbonyl]-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

C1CC1(CNC(=O)C2=NN3CC(CNC(=O)C3=C2)O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations