Geometry & MOs

Info

ID:

442057

PubChem CID:

135248707

Reduced:

S3N9O19C65H83 (1)

Stoich.:

A3B9C19D65E83 (1)

Weight, g/mol:

492.226963

ΔHf, kcal/mol:

-815.19

Dipole, Da:

14.74

IP(EA), eV:

 -8.97(-1.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,1,1-trifluoropropan-2-yl 4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)CSC3CC(=O)N(C3=O)CCCC(=O)NC4=CC5=C(C=C4)C(=O)C(=C(C5=O)SCCO)SCCO

DOS

IR

Vibrations