Geometry & MOs

Info

ID:

420276

PubChem CID:

135112194

Reduced:

OSN2C21H24 (1)

Stoich.:

ABC2D21E24 (1)

Weight, g/mol:

615.34207

ΔHf, kcal/mol:

13.47

Dipole, Da:

6.08

IP(EA), eV:

 -8.15(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]-2-phenylmethoxyacetamide

Drug info:

PubChemData

Smile

CC(C)C1C2=C(CCN1CC3=CSC(=C3)C(=O)C)C4=CC=CC=C4N2

DOS

IR

Vibrations