Geometry & MOs

Info

ID:

80591

PubChem CID:

49835339

Reduced:

ClS2N4O4H25C28 (1)

Stoich.:

AB2C4D4E25F28 (1)

Weight, g/mol:

610.03441

ΔHf, kcal/mol:

-57.11

Dipole, Da:

11.78

IP(EA), eV:

 -8.35(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-N-[[4-(2-amino-2-oxoethyl)phenyl]methyl]-2-N-[(E)-1-[5-(4-bromophenyl)-4-hydroxythiophen-3-yl]ethylideneamino]thiophene-2,5-dicarboxamide

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)C1=CC=C(S1)C(=O)NCC2=CC=C(C=C2)CNC(=O)C)/C3=CSC(=C3O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations