Geometry & MOs

Info

ID:

290720

PubChem CID:

109835642

Reduced:

ISO2N5C23H36 (1)

Stoich.:

ABC2D5E23F36 (1)

Weight, g/mol:

562.16522

ΔHf, kcal/mol:

-58.42

Dipole, Da:

5.96

IP(EA), eV:

 -9.13(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[[ethylamino-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]methylidene]amino]methyl]-2-methoxybenzoate;hydroiodide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CCNC(=NC)NCC2=CC=C(C=C2)CN(C)C(=O)OC(C)(C)C)C.I

DOS

IR

Vibrations