Geometry & MOs

Info

ID:

96492

PubChem CID:

50021682

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-201.69

Dipole, Da:

8.49

IP(EA), eV:

 -8.64(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations