Geometry & MOs

Info

ID:

233515

PubChem CID:

91145152

Reduced:

O2N3H8C11 (2)

Stoich.:

A2B3C8D11 (2)

Weight, g/mol:

538.27261

ΔHf, kcal/mol:

2.67

Dipole, Da:

6.53

IP(EA), eV:

 -8.94(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-[2-acetamido-3-[[amino-[[amino(dimethylamino)methylidene]amino]methyl]amino]-3-oxopropyl] 2-[3-(1-phenylbut-1-enyl)phenyl]propanethioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC=C(N=N2)C3=CC=C(C=C3)OC4=CC(=NC=C4)C(=O)OC(=O)N

DOS

IR

Vibrations