Geometry & MOs

Info

ID:

106940

PubChem CID:

50181767

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-199.09

Dipole, Da:

2.67

IP(EA), eV:

 -8.85(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-fluoro-5-[(4-methoxybenzoyl)amino]phenyl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CCNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5CCCCC5)C)Cl

DOS

IR

Vibrations