Geometry & MOs

Info

ID:

87786

PubChem CID:

49897347

Reduced:

SN2O5H24C27 (1)

Stoich.:

AB2C5D24E27 (1)

Weight, g/mol:

617.08313

ΔHf, kcal/mol:

-113.0

Dipole, Da:

2.69

IP(EA), eV:

 -8.75(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,3-dimethylphenyl)-2-[2-methoxy-4-[(Z)-[3-(2-morpholin-4-yl-2-oxoethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OCCOC2=CC=CC(=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations