Geometry & MOs

Info

ID:

116757

PubChem CID:

50574754

Reduced:

ClN6O7C35H47 (1)

Stoich.:

AB6C7D35E47 (1)

Weight, g/mol:

712.335126

ΔHf, kcal/mol:

-260.85

Dipole, Da:

12.91

IP(EA), eV:

 -8.9(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(propan-2-ylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)N(C)C)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations