Geometry & MOs

Info

ID:

94780

PubChem CID:

50003874

Reduced:

N5O5C35H49 (1)

Stoich.:

A5B5C35D49 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-223.55

Dipole, Da:

5.73

IP(EA), eV:

 -8.81(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)OC

DOS

IR

Vibrations