Geometry & MOs

Info

ID:

423377

PubChem CID:

135119395

Reduced:

N2S2O6C15H22 (1)

Stoich.:

A2B2C6D15E22 (1)

Weight, g/mol:

811.3588

ΔHf, kcal/mol:

-224.81

Dipole, Da:

10.03

IP(EA), eV:

 -10.02(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-15-[3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carbonyl]-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=CC=C2)S(=O)(=O)C

DOS

IR

Vibrations