Geometry & MOs

Info

ID:

190910

PubChem CID:

78074594

Reduced:

N4O4H38C39 (1)

Stoich.:

A4B4C38D39 (1)

Weight, g/mol:

476.227969

ΔHf, kcal/mol:

-64.93

Dipole, Da:

11.69

IP(EA), eV:

 -8.62(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[2-[(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-propylamino]ethyl]cyclohexyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(C=C1)NC(=O)C2(CCC2)NC(=O)C3=CC4=C(C=C3)C(=C(N4C)C5=CC6=C(C=C5)N=CC=C6)C7CCCC7)C(=O)O

DOS

IR

Vibrations