Geometry & MOs

Info

ID:

417288

PubChem CID:

135091949

Reduced:

SN4O5C12H18 (1)

Stoich.:

AB4C5D12E18 (1)

Weight, g/mol:

838.437761

ΔHf, kcal/mol:

-172.69

Dipole, Da:

2.32

IP(EA), eV:

 -9.77(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,12R,18S)-16-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-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

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CNC(=O)C=N2

DOS

IR

Vibrations