Geometry & MOs

Info

ID:

96032

PubChem CID:

50018529

Reduced:

ClFO5N6C38H46 (1)

Stoich.:

ABC5D6E38F46 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-247.44

Dipole, Da:

10.16

IP(EA), eV:

 -8.83(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[2-methyl-4-(propylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations