Geometry & MOs

Info

ID:	420444
PubChem CID:	135113182
Reduced:	SN3O5C18H23 (1)
Stoich.:	AB3C5D18E23 (1)
Weight, g/mol:	540.306018
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	5.5
IP(EA), eV:	-9.02(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC(=NC3=CC=CC=C32)OC

DOS

IR

Vibrations