Geometry & MOs

Info

ID:

91222

PubChem CID:

49974206

Reduced:

N5O5C30H39 (1)

Stoich.:

A5B5C30D39 (1)

Weight, g/mol:

591.34207

ΔHf, kcal/mol:

-187.24

Dipole, Da:

6.34

IP(EA), eV:

 -9.2(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-(diethylcarbamoyl)-2-methylphenyl]-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)NC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations