Geometry & MOs

Info

ID:

54692

PubChem CID:

17389111

Reduced:

S2N3O3C26H27 (1)

Stoich.:

A2B3C3D26E27 (1)

Weight, g/mol:

704.065643

ΔHf, kcal/mol:

-71.99

Dipole, Da:

7.34

IP(EA), eV:

 -8.51(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(benzhydrylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-[[5-(2,4-dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(S2)C=C(C=C3)N4C(=O)C5CCCCC5C4=O

DOS

IR

Vibrations