Geometry & MOs

Info

ID:

296733

PubChem CID:

117590886

Reduced:

Cl2N3O6C42H49 (1)

Stoich.:

A2B3C6D42E49 (1)

Weight, g/mol:

1506.732271

ΔHf, kcal/mol:

-151.68

Dipole, Da:

4.42

IP(EA), eV:

 -8.59(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[3,6,10-trimethyl-2,5,8,12,15-pentaoxo-7,14-di(propan-2-yl)-9-oxa-3,6,13-triazabicyclo[14.3.0]nonadecan-11-yl]phenoxazine-1,9-dicarboxamide;2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl.Cl

DOS

IR

Vibrations