Geometry & MOs

Info

ID:

425772

PubChem CID:

135127906

Reduced:

SO2N5H15C23 (1)

Stoich.:

AB2C5D15E23 (1)

Weight, g/mol:

458.154325

ΔHf, kcal/mol:

79.86

Dipole, Da:

3.34

IP(EA), eV:

 -9.32(-1.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[[2-[(2E,4Z)-5-amino-2-methylpenta-2,4-dienyl]-6-[(E)-2-chlorobut-1-enyl]-5-ethenyl-4H-1,3-diazepin-7-yl]amino]thiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(SC(=N2)NC3=NC(=NC4=CC=CC=C43)C5=CN=CC=C5)C(=O)O

DOS

IR

Vibrations