Geometry & MOs

Info

ID:

106046

PubChem CID:

50147707

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-180.26

Dipole, Da:

10.35

IP(EA), eV:

 -8.83(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-methyl-4-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=CC=C2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NCC(C)C)C

DOS

IR

Vibrations