Geometry & MOs

Info

ID:

91621

PubChem CID:

49977503

Reduced:

F2O5N6C37H42 (1)

Stoich.:

A2B5C6D37E42 (1)

Weight, g/mol:

698.342798

ΔHf, kcal/mol:

-266.77

Dipole, Da:

8.19

IP(EA), eV:

 -9.12(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-methoxybenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations