Geometry & MOs

Info

ID:

95376

PubChem CID:

50008868

Reduced:

BrO4N5C28H34 (1)

Stoich.:

AB4C5D28E34 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-138.43

Dipole, Da:

14.82

IP(EA), eV:

 -8.67(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=CC=C4)Br

DOS

IR

Vibrations