Geometry & MOs

Info

ID:

104317

PubChem CID:

50104012

Reduced:

F2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

618.352969

ΔHf, kcal/mol:

-261.9

Dipole, Da:

7.25

IP(EA), eV:

 -9.01(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations