Geometry & MOs

Info

ID:

343256

PubChem CID:

127266429

Reduced:

BrSCl2N2O2H19C21 (1)

Stoich.:

ABC2D2E2F19G21 (1)

Weight, g/mol:

608.016483

ΔHf, kcal/mol:

-25.32

Dipole, Da:

5.41

IP(EA), eV:

 -8.61(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 5-[[5-amino-3-(4-chlorophenyl)-4-ethoxycarbonylthiophen-2-yl]methylidene]-4-(4-chlorophenyl)-2-iminothiophene-3-carboxylate;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N=C2N(C(=CS2)C3=C(C=C(C=C3)Cl)Cl)CC=C.Br

DOS

IR

Vibrations