Geometry & MOs

Info

ID:

95112

PubChem CID:

50006458

Reduced:

N6O7C38H52 (1)

Stoich.:

A6B7C38D52 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-284.13

Dipole, Da:

7.04

IP(EA), eV:

 -8.86(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-[(3-fluorophenyl)carbamoyl]-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)OC

DOS

IR

Vibrations