Geometry & MOs

Info

ID:

168717

PubChem CID:

75008738

Reduced:

FO21N28C79H129 (1)

Stoich.:

AB21C28D79E129 (1)

Weight, g/mol:

497.350509

ΔHf, kcal/mol:

-1020.44

Dipole, Da:

25.22

IP(EA), eV:

 -8.71(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-10,10,15,19-tetramethyl-8-oxa-7-azahexacyclo[12.7.0.01,3.03,11.05,9.015,19]henicosa-5(9),6-dien-17-ol

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CC1=CC=C(C=C1)F)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations