Geometry & MOs

Info

ID:

108026

PubChem CID:

50227483

Reduced:

FO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

654.329646

ΔHf, kcal/mol:

-217.41

Dipole, Da:

1.1

IP(EA), eV:

 -8.94(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=C(C=C(C=C3)F)C)C

DOS

IR

Vibrations