Geometry & MOs

Info

ID:

45146

PubChem CID:

10508411

Reduced:

SN6O7C31H46 (1)

Stoich.:

AB6C7D31E46 (1)

Weight, g/mol:

647.317933

ΔHf, kcal/mol:

-318.42

Dipole, Da:

4.61

IP(EA), eV:

 -8.88(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[(E)-3-[[2-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N,2,4-trimethylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCC(C(=O)C(=O)NCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)NC(=O)[C@H](CC(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations