Geometry & MOs

Info

ID:

107830

PubChem CID:

50220242

Reduced:

O4N5C34H49 (1)

Stoich.:

A4B5C34D49 (1)

Weight, g/mol:

728.406147

ΔHf, kcal/mol:

-195.66

Dipole, Da:

3.23

IP(EA), eV:

 -8.68(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC(=C3)C)C)C

DOS

IR

Vibrations