Geometry & MOs

Info

ID:

163350

PubChem CID:

57830211

Reduced:

N3C21H29 (1)

Stoich.:

A3B21C29 (1)

Weight, g/mol:

1010.553578

ΔHf, kcal/mol:

28.54

Dipole, Da:

3.37

IP(EA), eV:

 -8.23(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 2-[[14-[[2-[6-ethyl-2-hydroxy-5-(2-methylpropyl)oxan-2-yl]-2-hydroxypropanoyl]amino]-9,23-dihydroxy-6-methyl-2,8,11,15,22,25-hexaoxo-10,13-di(propan-2-yl)-12-oxa-3,9,16,17,23,26,27-heptazatetracyclo[24.4.0.03,7.016,21]triacontan-6-yl]oxy]acetate

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1)C2=CC=C(C=C2)CN3CCN(CC3)C(C)(C)C

DOS

IR

Vibrations