Geometry & MOs

Info

ID:

114963

PubChem CID:

50503536

Reduced:

FN5O6C35H42 (1)

Stoich.:

AB5C6D35E42 (1)

Weight, g/mol:

688.338461

ΔHf, kcal/mol:

-254.86

Dipole, Da:

3.17

IP(EA), eV:

 -8.23(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[2-methoxy-5-(propan-2-ylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)OC)OC)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations