Geometry & MOs

Info

ID:

412353

PubChem CID:

135085243

Reduced:

ClON4C25H25 (1)

Stoich.:

ABC4D25E25 (1)

Weight, g/mol:

610.06133

ΔHf, kcal/mol:

46.18

Dipole, Da:

3.15

IP(EA), eV:

 -9.08(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2S)-N-(4-bromophenyl)-1-[3-[(1R,2S)-2-[(4-bromophenyl)carbamoyl]-1-oxidopyrrolidin-1-ium-1-yl]propyl]-1-oxidopyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

C=CC1CN2CCC1CC2[C@H](C3=CC=NC4=CC=CC=C34)NC(=O)C5=NC=CC(=C5)Cl

DOS

IR

Vibrations