Geometry & MOs

Info

ID:

112349

PubChem CID:

50403535

Reduced:

F2N5O5C32H35 (1)

Stoich.:

A2B5C5D32E35 (1)

Weight, g/mol:

621.276276

ΔHf, kcal/mol:

-235.85

Dipole, Da:

9.18

IP(EA), eV:

 -8.59(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methoxy-5-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations