Geometry & MOs

Info

ID:

32045

PubChem CID:

4254221

Reduced:

SN2O3C21H24 (1)

Stoich.:

AB2C3D21E24 (1)

Weight, g/mol:

814.152438

ΔHf, kcal/mol:

-60.82

Dipole, Da:

4.95

IP(EA), eV:

 -9.28(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-[6-[[2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl]amino]-4-phenylquinazolin-2-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C(C)(C)C)NS(=O)(=O)C1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations