Geometry & MOs

Info

ID:

106494

PubChem CID:

50165368

Reduced:

FO4N5C29H36 (1)

Stoich.:

AB4C5D29E36 (1)

Weight, g/mol:

680.368619

ΔHf, kcal/mol:

-199.85

Dipole, Da:

9.08

IP(EA), eV:

 -8.84(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-methyl-3-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations