Geometry & MOs

Info

ID:

115763

PubChem CID:

50533228

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-172.76

Dipole, Da:

12.31

IP(EA), eV:

 -9.04(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[4-methyl-3-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)N

DOS

IR

Vibrations