Geometry & MOs

Info

ID:

115972

PubChem CID:

50541733

Reduced:

FO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-232.67

Dipole, Da:

5.14

IP(EA), eV:

 -9.06(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3C(=O)NC4CCCCC4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations