Geometry & MOs

Info

ID:

214687

PubChem CID:

85083415

Reduced:

NO10C30H43 (1)

Stoich.:

AB10C30D43 (1)

Weight, g/mol:

577.311163

ΔHf, kcal/mol:

-421.34

Dipole, Da:

8.01

IP(EA), eV:

 -8.62(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[[1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC2C(C(C(C(O2)C(=O)O)O)O)O)C(C)C)OCCN(C)CC3=C(C(=C(C(=C3C)O)C)C)OC

DOS

IR

Vibrations