Geometry & MOs

Info

ID:

113170

PubChem CID:

50433314

Reduced:

ClF2O5N6C33H35 (1)

Stoich.:

AB2C5D6E33F35 (1)

Weight, g/mol:

637.264267

ΔHf, kcal/mol:

-258.15

Dipole, Da:

8.08

IP(EA), eV:

 -9.11(-1.0)

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-[4-chloro-2-(trifluoromethyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations