Geometry & MOs

Info

ID:	417875
PubChem CID:	135102946
Reduced:	SN4O4C14H22 (1)
Stoich.:	AB4C4D14E22 (1)
Weight, g/mol:	446.25292
ΔH_f, kcal/mol:	-151.43
Dipole, Da:	5.91
IP(EA), eV:	-8.37(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1C)NCC2CN(CCO2)S(=O)(=O)C)C(=O)N

DOS

IR

Vibrations