Geometry & MOs

Info

ID:

168431

PubChem CID:

74966619

Reduced:

FNSO4C25H30 (1)

Stoich.:

ABCD4E25F30 (1)

Weight, g/mol:

564.268295

ΔHf, kcal/mol:

-157.24

Dipole, Da:

4.46

IP(EA), eV:

 -8.78(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(3-aminopropanoyloxy)-6,9,11,13,14-pentahydroxy-3,7,10-trimethyl-11-propan-2-yl-15-oxapentacyclo[7.5.1.01,6.07,13.010,14]pentadecan-12-yl] 1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC(=NOCC(C)(C)C(=O)OC)C1=CC=C(C=C1)SC2=CC(=CC(=C2)F)C3CCOCC3

DOS

IR

Vibrations