Geometry & MOs

Info

ID:

116278

PubChem CID:

50554463

Reduced:

Cl2O5N6C35H44 (1)

Stoich.:

A2B5C6D35E44 (1)

Weight, g/mol:

670.243724

ΔHf, kcal/mol:

-218.15

Dipole, Da:

8.35

IP(EA), eV:

 -8.88(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations