Geometry & MOs

Info

ID:

119486

PubChem CID:

50686951

Reduced:

ClO5N6C37H49 (1)

Stoich.:

AB5C6D37E49 (1)

Weight, g/mol:

706.243724

ΔHf, kcal/mol:

-229.68

Dipole, Da:

6.73

IP(EA), eV:

 -9.12(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC=C(C=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations