Geometry & MOs

Info

ID:

118795

PubChem CID:

50659217

Reduced:

ClO5N6C29H35 (1)

Stoich.:

AB5C6D29E35 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-193.96

Dipole, Da:

4.38

IP(EA), eV:

 -9.07(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[3-[(2-methoxybenzoyl)amino]-4-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl

DOS

IR

Vibrations