Geometry & MOs

Info

ID:

328429

PubChem CID:

126723005

Reduced:

O4N8C29H36 (1)

Stoich.:

A4B8C29D36 (1)

Weight, g/mol:

441.154469

ΔHf, kcal/mol:

-81.43

Dipole, Da:

4.4

IP(EA), eV:

 -9.06(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(E)-1-(1,3-benzothiazol-5-ylamino)prop-1-enyl]-2-tert-butylsulfanyl-5-(methylideneamino)phenoxy]ethanol

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)NCC(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)NC(C)CC3=NNN=N3)NC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations