Geometry & MOs

Info

ID:

109981

PubChem CID:

50303977

Reduced:

BrO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

658.267046

ΔHf, kcal/mol:

-162.13

Dipole, Da:

7.73

IP(EA), eV:

 -8.81(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carbonyl]-N-[2-chloro-5-[(2-methylbenzoyl)amino]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N(C)C)Br

DOS

IR

Vibrations