Geometry & MOs

Info

ID:

105654

PubChem CID:

50135585

Reduced:

ClO5N6C42H53 (1)

Stoich.:

AB5C6D42E53 (1)

Weight, g/mol:

756.376597

ΔHf, kcal/mol:

-204.94

Dipole, Da:

4.93

IP(EA), eV:

 -8.52(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5C)Cl)C

DOS

IR

Vibrations