Geometry & MOs

Info

ID:

91361

PubChem CID:

49975335

Reduced:

N6O7C35H46 (1)

Stoich.:

A6B7C35D46 (1)

Weight, g/mol:

672.307161

ΔHf, kcal/mol:

-269.53

Dipole, Da:

11.51

IP(EA), eV:

 -8.99(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC5CCCC5)OC

DOS

IR

Vibrations