Geometry & MOs

Info

ID:

296751

PubChem CID:

117591391

Reduced:

Cl3N5O6C30H40 (1)

Stoich.:

A3B5C6D30E40 (1)

Weight, g/mol:

876.398581

ΔHf, kcal/mol:

-216.32

Dipole, Da:

6.57

IP(EA), eV:

 -9.01(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione;9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)N(CCCl)N=O.C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=C(C=C4)Cl.Cl

DOS

IR

Vibrations