Geometry & MOs

Info

ID:

326807

PubChem CID:

126688235

Reduced:

FSN5O5C12H14 (1)

Stoich.:

ABC5D5E12F14 (1)

Weight, g/mol:

513.229742

ΔHf, kcal/mol:

-148.31

Dipole, Da:

4.88

IP(EA), eV:

 -9.84(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(13S,15R)-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

CCC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@H]([C@@]4([C@@H](C4OS(=O)(=O)N)O3)O)F

DOS

IR

Vibrations