Geometry & MOs

Info

ID:

107950

PubChem CID:

50224896

Reduced:

FO5N6C34H47 (1)

Stoich.:

AB5C6D34E47 (1)

Weight, g/mol:

674.415569

ΔHf, kcal/mol:

-276.24

Dipole, Da:

12.08

IP(EA), eV:

 -8.71(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[2-methyl-6-(4-methylpiperidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)F)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC(C)CC)C

DOS

IR

Vibrations