Geometry & MOs

Info

ID:

381737

PubChem CID:

134972555

Reduced:

ClNO5C29H30 (1)

Stoich.:

ABC5D29E30 (1)

Weight, g/mol:

674.297009

ΔHf, kcal/mol:

-178.55

Dipole, Da:

0.84

IP(EA), eV:

 -8.88(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,6R,10R,13E,16S)-10-[(3-chloro-4-methoxyphenyl)methyl]-16-[(2R,3R,4R)-4-cyclohexa-1,5-dien-1-yl-3,4-dihydroxybutan-2-yl]-6-methyl-3-(2-methylpropyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetrone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H](CC1=CC(=C(C=C1)OC)Cl)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations