Geometry & MOs

Info

ID:

95003

PubChem CID:

50005627

Reduced:

BrO4N5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

642.316583

ΔHf, kcal/mol:

-145.92

Dipole, Da:

6.51

IP(EA), eV:

 -8.97(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-methoxy-4-[(2-methylbenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations