Geometry & MOs

Info

ID:

220153

PubChem CID:

85165302

Reduced:

NO7C41H43 (1)

Stoich.:

AB7C41D43 (1)

Weight, g/mol:

661.405064

ΔHf, kcal/mol:

-208.46

Dipole, Da:

3.31

IP(EA), eV:

 -8.86(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2,3-dimethyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]butanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(CN1C(=O)OCC2=CC=CC=C2)C(=C)C3=CC(=CC=C3)OCCC(C4=CC=CC=C4)C5=CC=CC=C5)CC(=O)OC

DOS

IR

Vibrations