Geometry & MOs

Info

ID:

414773

PubChem CID:

135087735

Reduced:

FN2S2O5C14H21 (1)

Stoich.:

AB2C2D5E14F21 (1)

Weight, g/mol:

826.437761

ΔHf, kcal/mol:

-233.32

Dipole, Da:

0.89

IP(EA), eV:

 -9.86(-0.99)

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-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)S(=O)(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations