Geometry & MOs

Info

ID:

107056

PubChem CID:

50186970

Reduced:

SO3N6C27H38 (1)

Stoich.:

AB3C6D27E38 (1)

Weight, g/mol:

639.34207

ΔHf, kcal/mol:

-104.13

Dipole, Da:

3.03

IP(EA), eV:

 -9.02(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(3-methoxybenzoyl)amino]phenyl]-1-[1-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2CCCCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=NN=C(S4)C(C)C

DOS

IR

Vibrations