Geometry & MOs

Info

ID:

119402

PubChem CID:

50683109

Reduced:

ClO4N5C30H38 (1)

Stoich.:

AB4C5D30E38 (1)

Weight, g/mol:

589.226739

ΔHf, kcal/mol:

-172.45

Dipole, Da:

3.38

IP(EA), eV:

 -8.72(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-(2,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)Cl

DOS

IR

Vibrations