Geometry & MOs

Info

ID:	414532
PubChem CID:	135087491
Reduced:	S2N3O5C14H19 (1)
Stoich.:	A2B3C5D14E19 (1)
Weight, g/mol:	474.28422
ΔH_f, kcal/mol:	-146.55
Dipole, Da:	8.51
IP(EA), eV:	-10.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations