Geometry & MOs

Info

ID:

106649

PubChem CID:

50171476

Reduced:

FO5N6C38H51 (1)

Stoich.:

AB5C6D38E51 (1)

Weight, g/mol:

714.329646

ΔHf, kcal/mol:

-269.23

Dipole, Da:

6.72

IP(EA), eV:

 -8.84(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)F)NC(=O)C5CCCCC5

DOS

IR

Vibrations