Geometry & MOs

Info

ID:

326801

PubChem CID:

126688224

Reduced:

FO3N6C16H17 (1)

Stoich.:

AB3C6D16E17 (1)

Weight, g/mol:

569.292343

ΔHf, kcal/mol:

-84.47

Dipole, Da:

1.94

IP(EA), eV:

 -9.04(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(13S,15R)-2-tert-butyl-13-methyl-15-[3-[(5-methyl-1,3-thiazol-2-yl)amino]-3-oxopropyl]-3-oxo-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-1-yl]amino]oxyacetic acid

Drug info:

PubChemData

Smile

CC(C)C(CC(=O)O)NC1=NC(=NC=C1F)C2=CN3C(=NNC3=O)C=C2

DOS

IR

Vibrations