Geometry & MOs

Info

ID:

418035

PubChem CID:

135103359

Reduced:

NO3C19H29 (1)

Stoich.:

AB3C19D29 (1)

Weight, g/mol:

782.411546

ΔHf, kcal/mol:

-147.31

Dipole, Da:

6.6

IP(EA), eV:

 -9.51(0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)CCCCC2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations