Geometry & MOs

Info

ID:

180452

PubChem CID:

76635089

Reduced:

S2N6O15C42H44 (1)

Stoich.:

A2B6C15D42E44 (1)

Weight, g/mol:

578.320331

ΔHf, kcal/mol:

-314.47

Dipole, Da:

6.22

IP(EA), eV:

 -8.93(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 2-[[2-[formyl(phenylmethoxy)amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(N(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-])CSCCC(=O)N(C)C(=O)OCC5=CC=C(C=C5)[N+](=O)[O-])C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])C(C)O

DOS

IR

Vibrations