Geometry & MOs

Info

ID:

440948

PubChem CID:

135232410

Reduced:

SN2O4C34H58 (1)

Stoich.:

AB2C4D34E58 (1)

Weight, g/mol:

457.249118

ΔHf, kcal/mol:

-227.7

Dipole, Da:

7.57

IP(EA), eV:

 -8.69(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-(9,9,16,16,19-pentamethyl-2-oxa-6-aza-23-azoniahexacyclo[12.11.0.03,12.05,10.015,23.017,22]pentacosa-3,5(10),11,13,15(23),17(22),18,20-octaen-6-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSCC(C(=O)O)NC(=O)C(C/C(=C/C=C)/C=C)NC(=O)C)/C

DOS

IR

Vibrations