Geometry & MOs

Info

ID:

49885

PubChem CID:

11534107

Reduced:

N3O4C34H39 (1)

Stoich.:

A3B4C34D39 (1)

Weight, g/mol:

554.102467

ΔHf, kcal/mol:

-84.48

Dipole, Da:

3.75

IP(EA), eV:

 -7.77(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-chloro-N-(2,5-difluorophenyl)-N-[1-[4-methyl-5-[(5-oxo-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C2C(=C1)CCN3C2=C(C(=C3C(=O)OC)C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C)OC

DOS

IR

Vibrations