Geometry & MOs

Info

ID:

110682

PubChem CID:

50336014

Reduced:

BrO4N5C31H42 (1)

Stoich.:

AB4C5D31E42 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-179.71

Dipole, Da:

4.07

IP(EA), eV:

 -8.93(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methyl-4-(2-methylpropanoylamino)anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NCC(C)C)C)Br

DOS

IR

Vibrations