Geometry & MOs

Info

ID:

419006

PubChem CID:

135107311

Reduced:

FON5C15H24 (1)

Stoich.:

ABC5D15E24 (1)

Weight, g/mol:

772.336667

ΔHf, kcal/mol:

-55.85

Dipole, Da:

2.4

IP(EA), eV:

 -8.55(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13R,19R,23S)-23-hydroxy-13-(1H-indol-3-ylmethyl)-4-(2-methylpropyl)-17-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1F)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations