Geometry & MOs

Info

ID:	37119
PubChem CID:	8017106
Reduced:	N2O5H16C21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	408.174573
ΔH_f, kcal/mol:	-142.6
Dipole, Da:	5.43
IP(EA), eV:	-9.09(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ium-4-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)[C@@H](C)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations