Geometry & MOs

Info

ID:

106496

PubChem CID:

50165498

Reduced:

F3O4N5C29H34 (1)

Stoich.:

A3B4C5D29E34 (1)

Weight, g/mol:

676.374847

ΔHf, kcal/mol:

-306.26

Dipole, Da:

9.59

IP(EA), eV:

 -8.88(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-3-oxopropyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations