Geometry & MOs

Info

ID:

418943

PubChem CID:

135107180

Reduced:

N2O5C20H28 (1)

Stoich.:

A2B5C20D28 (1)

Weight, g/mol:

839.43301

ΔHf, kcal/mol:

-203.12

Dipole, Da:

8.59

IP(EA), eV:

 -8.9(-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-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carbonyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14-pentone

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC)NC(=O)C

DOS

IR

Vibrations