Geometry & MOs

Info

ID:

87801

PubChem CID:

49897484

Reduced:

BrClSN3O7H25C26 (1)

Stoich.:

ABCD3E7F25G26 (1)

Weight, g/mol:

545.102349

ΔHf, kcal/mol:

-219.14

Dipole, Da:

4.77

IP(EA), eV:

 -8.89(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-chloro-6-methoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC(=O)N4CCOCC4)OC)Cl

DOS

IR

Vibrations