Geometry & MOs

Info

ID:

59627

PubChem CID:

24890613

Reduced:

N8C19H22 (1)

Stoich.:

A8B19C22 (1)

Weight, g/mol:

838.447657

ΔHf, kcal/mol:

114.8

Dipole, Da:

3.31

IP(EA), eV:

 -9.03(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,5R,8R,13S,14R,16R,21E,23R,24S)-23-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-5,9,14,16,18,24-hexamethyl-21-(pyrido[2,3-b]pyrazin-8-ylmethoxyimino)-3,7,10,19-tetraoxa-12-azatetracyclo[10.8.2.24,18.09,13]tetracosane-6,11,15-trione

Drug info:

PubChemData

Smile

CC[C@@H]1C2=NN=CN2C3=CN=C(N=C3N1C4CCCC4)NC5=CC=NC=C5

DOS

IR

Vibrations