Geometry & MOs

Info

ID:

215092

PubChem CID:

85084147

Reduced:

Cl2O4N6H36C37 (1)

Stoich.:

A2B4C6D36E37 (1)

Weight, g/mol:

699.305033

ΔHf, kcal/mol:

-28.97

Dipole, Da:

5.06

IP(EA), eV:

 -8.89(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(benzenesulfonamido)-N-[2-[[4-(1,3-benzodioxol-5-ylmethylamino)-1-cyclohexyl-3,4-dioxobutan-2-yl]amino]-2-oxoethyl]-5-(diaminomethylideneamino)-N-methylpentanamide

Drug info:

PubChemData

Smile

CN(CCCN(C)CCNC(=O)C1C=CC(=C2C1=NC3=CC=CC=C3C2=O)Cl)CCNC(=O)C4C=CC(=C5C4=NC6=CC=CC=C6C5=O)Cl

DOS

IR

Vibrations