Geometry & MOs

Info

ID:

119726

PubChem CID:

50698300

Reduced:

ClN6O7C35H47 (1)

Stoich.:

AB6C7D35E47 (1)

Weight, g/mol:

730.324561

ΔHf, kcal/mol:

-284.06

Dipole, Da:

4.07

IP(EA), eV:

 -8.2(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations