Geometry & MOs

Info

ID:

414720

PubChem CID:

135087679

Reduced:

N6O6C39H44 (1)

Stoich.:

A6B6C39D44 (1)

Weight, g/mol:

357.162332

ΔHf, kcal/mol:

-184.33

Dipole, Da:

5.6

IP(EA), eV:

 -8.82(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-[2-(dimethylamino)ethyl]-N-(1H-imidazol-5-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1)C(=O)N2C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](NC(=O)C2)CC4=CNC5=CC=CC=C54)O)C)C6=CC=CC=C6

DOS

IR

Vibrations