Geometry & MOs

Info

ID:

107549

PubChem CID:

50208452

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

720.376597

ΔHf, kcal/mol:

-181.83

Dipole, Da:

6.3

IP(EA), eV:

 -8.93(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations