Geometry & MOs

Info

ID:	412116
PubChem CID:	135084990
Reduced:	N6O7C42H60 (1)
Stoich.:	A6B7C42D60 (1)
Weight, g/mol:	333.01868
ΔH_f, kcal/mol:	-343.36
Dipole, Da:	7.11
IP(EA), eV:	-9.17(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-[(1S)-1-naphthalen-1-ylethyl]-1,3-thiazol-3-ium;bromide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CN=CN1C)C(=O)NC23CC4CC(C2)CC(C4)(C3)C(=O)N[C@@H](CC5CCCCC5)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)OC

DOS

IR

Vibrations