Geometry & MOs

Info

ID:

112748

PubChem CID:

50417537

Reduced:

ClF2O5N6H37C38 (1)

Stoich.:

AB2C5D6E37F38 (1)

Weight, g/mol:

619.297011

ΔHf, kcal/mol:

-237.84

Dipole, Da:

6.8

IP(EA), eV:

 -8.57(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(2,5-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations