Geometry & MOs

Info

ID:

107341

PubChem CID:

50199321

Reduced:

ClO5N6C36H51 (1)

Stoich.:

AB5C6D36E51 (1)

Weight, g/mol:

736.295152

ΔHf, kcal/mol:

-248.25

Dipole, Da:

9.0

IP(EA), eV:

 -8.68(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-1-[1-[4-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C(C)C)C

DOS

IR

Vibrations