Geometry & MOs

Info

ID:

95374

PubChem CID:

50008854

Reduced:

O5N6C36H42 (1)

Stoich.:

A5B6C36D42 (1)

Weight, g/mol:

604.337319

ΔHf, kcal/mol:

-166.36

Dipole, Da:

10.73

IP(EA), eV:

 -8.7(-0.49)

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-(2-methylpropylcarbamoyl)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)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations