Geometry & MOs

Info

ID:

112567

PubChem CID:

50411792

Reduced:

F2O4N5C29H37 (1)

Stoich.:

A2B4C5D29E37 (1)

Weight, g/mol:

565.290034

ΔHf, kcal/mol:

-255.26

Dipole, Da:

5.2

IP(EA), eV:

 -8.72(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-[1-[2-methyl-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)F)F)C

DOS

IR

Vibrations