Geometry & MOs

Info

ID:

328437

PubChem CID:

126723071

Reduced:

N2O6C17H18 (1)

Stoich.:

A2B6C17D18 (1)

Weight, g/mol:

1308.665529

ΔHf, kcal/mol:

-141.1

Dipole, Da:

8.91

IP(EA), eV:

 -9.17(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,8S,11S,14R,24R,28S,31S,34R)-7-(3,3-dimethylbutanoyl)-27-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-11,31-bis(naphthalen-2-ylmethyl)-9,12,29,32-tetraoxo-3,23-dioxa-7,10,13,18,19,20,27,30,33,38,39,40-dodecazapentacyclo[36.2.1.118,21.04,8.024,28]dotetraconta-1(41),19,21(42),39-tetraene-14,34-dicarboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)[C@](C)(COC2=CC=C(C=C2)O)O)[N+](=O)[O-]

DOS

IR

Vibrations