Geometry & MOs

Info

ID:

118991

PubChem CID:

50666789

Reduced:

ClO5N6C37H43 (1)

Stoich.:

AB5C6D37E43 (1)

Weight, g/mol:

688.277611

ΔHf, kcal/mol:

-182.87

Dipole, Da:

9.94

IP(EA), eV:

 -8.52(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC(C)C)Cl)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations