Geometry & MOs

Info

ID:	185212
PubChem CID:	77271272
Reduced:	SO5N6C23H26 (1)
Stoich.:	AB5C6D23E26 (1)
Weight, g/mol:	742.404061
ΔH_f, kcal/mol:	-130.38
Dipole, Da:	6.45
IP(EA), eV:	-8.95(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-benzyl-1-formyl-5-propan-2-ylpyrazol-3-yl)oxy-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(=O)OCCC(=O)NNC(=O)C1=CC(=CC=C1)N2CC3CCCN3C4=NC(=NC=C4C2=O)SC

DOS

IR

Vibrations