Geometry & MOs

Info

ID:

117842

PubChem CID:

50617957

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-218.9

Dipole, Da:

15.09

IP(EA), eV:

 -8.84(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC

DOS

IR

Vibrations