Geometry & MOs

Info

ID:

148008

PubChem CID:

53787670

Reduced:

PSN3O6C30H34 (1)

Stoich.:

ABC3D6E30F34 (1)

Weight, g/mol:

850.474146

ΔHf, kcal/mol:

-248.97

Dipole, Da:

7.47

IP(EA), eV:

 -9.06(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,5-bis[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-3-yl]oxymethyl acetate

Drug info:

PubChemData

Smile

CCOP(=O)(CC(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2)NC3CS[C@@H](N(C3=O)CC(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations