Geometry & MOs

Info

ID:	66107
PubChem CID:	46493481
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	445.182398
ΔH_f, kcal/mol:	36.93
Dipole, Da:	3.6
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[4-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CCCNC(=O)CN3C=CC=N3

DOS

IR

Vibrations