Geometry & MOs

Info

ID:	420429
PubChem CID:	135113063
Reduced:	O3N5C16H25 (1)
Stoich.:	A3B5C16D25 (1)
Weight, g/mol:	554.231139
ΔH_f, kcal/mol:	-87.74
Dipole, Da:	4.04
IP(EA), eV:	-8.89(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,5S)-11-(imidazo[2,1-b][1,3]thiazole-6-carbonyl)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

CCCN1CCCN(CC1)C(=O)C2=NN3CC(CNC(=O)C3=C2)O

DOS

IR

Vibrations