Geometry & MOs

Info

ID:

94600

PubChem CID:

50002556

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-178.6

Dipole, Da:

9.45

IP(EA), eV:

 -8.9(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-[2-[(4-fluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]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)NCCC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations