Geometry & MOs

Info

ID:

171633

PubChem CID:

75408901

Reduced:

BrClSN2O5H26C31 (1)

Stoich.:

ABCD2E5F26G31 (1)

Weight, g/mol:

615.167536

ΔHf, kcal/mol:

-91.01

Dipole, Da:

5.04

IP(EA), eV:

 -9.19(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E)-5-(3,4-dimethoxyphenyl)-7-methyl-2-[[3-[(4-nitrophenyl)methoxy]phenyl]methylidene]-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C=C3)Cl)C(=O)/C(=C\C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC)/S2)C

DOS

IR

Vibrations