Geometry & MOs

Info

ID:

104468

PubChem CID:

50104346

Reduced:

BrO4N5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

575.20661

ΔHf, kcal/mol:

-150.43

Dipole, Da:

1.98

IP(EA), eV:

 -8.91(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2,4-dichloroanilino)-2-oxoethyl]-1-[1-[2-methyl-4-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations