Geometry & MOs

Info

ID:

189844

PubChem CID:

77914007

Reduced:

SN6O6C26H50 (1)

Stoich.:

AB6C6D26E50 (1)

Weight, g/mol:

556.402879

ΔHf, kcal/mol:

-326.29

Dipole, Da:

6.16

IP(EA), eV:

 -8.93(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,9,9,13,14-pentamethyl-7-phenyl-20-propan-2-yl-6,7-diazahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-4(8),5-diene-17-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)O)N

DOS

IR

Vibrations