Geometry & MOs

Info

ID:

164635

PubChem CID:

74429593

Reduced:

ClN5O6C36H54 (1)

Stoich.:

AB5C6D36E54 (1)

Weight, g/mol:

599.384683

ΔHf, kcal/mol:

-319.95

Dipole, Da:

5.36

IP(EA), eV:

 -8.7(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[2-[2-(3-fluorophenyl)ethyl-methylamino]ethyl-methylamino]-4-[[4-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridin-2-yl]methyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1)NC(=O)OC(C)(C)C)CC2CN(CC2N(C)CCN(CC3=CC=C(C=C3)Cl)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations