Geometry & MOs

Info

ID:

422713

PubChem CID:

135118290

Reduced:

O2N3C17H23 (1)

Stoich.:

A2B3C17D23 (1)

Weight, g/mol:

829.397453

ΔHf, kcal/mol:

-58.78

Dipole, Da:

4.4

IP(EA), eV:

 -9.14(0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,12R,18S)-16-(2,3-difluorobenzoyl)-12-(1H-indol-3-ylmethyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CC(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations