Geometry & MOs

Info

ID:

106392

PubChem CID:

50161739

Reduced:

O5N6C41H60 (1)

Stoich.:

A5B6C41D60 (1)

Weight, g/mol:

702.334125

ΔHf, kcal/mol:

-247.99

Dipole, Da:

5.63

IP(EA), eV:

 -9.02(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C)C

DOS

IR

Vibrations