Geometry & MOs

Info

ID:

106185

PubChem CID:

50151711

Reduced:

O4N5C32H45 (1)

Stoich.:

A4B5C32D45 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-181.75

Dipole, Da:

7.24

IP(EA), eV:

 -8.86(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-4-(2-methylpropanoylamino)phenyl]-1-[1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)NCC(C)C)C)C

DOS

IR

Vibrations