Geometry & MOs

Info

ID:

326693

PubChem CID:

126688024

Reduced:

NO3C8H14 (2)

Stoich.:

AB3C8D14 (2)

Weight, g/mol:

879.510591

ΔHf, kcal/mol:

-294.17

Dipole, Da:

1.13

IP(EA), eV:

 -9.66(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,11S,14S)-14-[[2-[[(2S)-2-amino-2-[[(2R)-2-[hexadecanoyl(methyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]-methylamino]-18-hydroxy-3,11-dimethyl-10,13-dioxo-9,12-diazatricyclo[13.3.1.12,6]icosa-1(18),2,4,6(20),15(19),16-hexaene-8-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCOC)C(=O)N1CCCC1C(=O)OC

DOS

IR

Vibrations