Geometry & MOs

Info

ID:

59788

PubChem CID:

24897159

Reduced:

ClNO2H10C15 (1)

Stoich.:

ABC2D10E15 (1)

Weight, g/mol:

608.346152

ΔHf, kcal/mol:

78.01

Dipole, Da:

2.98

IP(EA), eV:

-9.39(-1.64)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(5R,6E,8E,10E,13S,14R,15S,16Z)-15,22-dihydroxy-5-methoxy-14-methyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] (2R)-2-(cyclohexanecarbonylamino)propanoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C#CC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations