Geometry & MOs

Info

ID:

215337

PubChem CID:

85084564

Reduced:

N11O12C35H51 (1)

Stoich.:

A11B12C35D51 (1)

Weight, g/mol:

817.472475

ΔHf, kcal/mol:

-506.02

Dipole, Da:

4.12

IP(EA), eV:

 -8.99(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-O-tert-butyl 5-O-[6-[3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-(phenylmethoxycarbonylamino)propoxy]-1-morpholin-4-yl-6-oxohexan-2-yl] 4-(cyclohexylmethyl)-2,2-dimethyl-1,3-oxazolidine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CN=CN2)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CC(=O)O)N

DOS

IR

Vibrations