Geometry & MOs

Info

ID:

309799

PubChem CID:

126559678

Reduced:

O5C23H42 (1)

Stoich.:

A5B23C42 (1)

Weight, g/mol:

575.272626

ΔHf, kcal/mol:

-278.69

Dipole, Da:

4.97

IP(EA), eV:

 -9.62(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[(3S)-4-[(3S,4R)-1-tert-butyl-4-(4-chloro-2-fluorophenyl)pyrrolidine-3-carbonyl]-3-methylpiperazin-1-yl]-3-(2-fluoro-4-methylphenyl)propanoate

Drug info:

PubChemData

Smile

CCC(C)OC1(CCC(CC1)C(C)(C)OC(=O)COCC(=O)C(C)(C)CC)C

DOS

IR

Vibrations