Geometry & MOs

Info

ID:

106066

PubChem CID:

50148337

Reduced:

N3O3C20H26 (2)

Stoich.:

A3B3C20D26 (2)

Weight, g/mol:

712.394833

ΔHf, kcal/mol:

-244.13

Dipole, Da:

9.87

IP(EA), eV:

 -8.26(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methoxy-4-[(4-methylbenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C)OC

DOS

IR

Vibrations