Geometry & MOs

Info

ID:

381476

PubChem CID:

134972228

Reduced:

N5O7C21H35 (1)

Stoich.:

A5B7C21D35 (1)

Weight, g/mol:

697.389808

ΔHf, kcal/mol:

-319.78

Dipole, Da:

4.62

IP(EA), eV:

 -8.89(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3S)-1-[3-[(2,3-dimethoxybenzoyl)amino]propyl-[3-[[(2R,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propyl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]([C@H](C(=O)NCCCN(CCCNC(=O)C1=C(C(=CC=C1)O)O)C(=O)[C@@H]([C@H](C)O)N)N)O

DOS

IR

Vibrations