Geometry & MOs

Info

ID:

107719

PubChem CID:

50216215

Reduced:

BrO4N5C27H34 (1)

Stoich.:

AB4C5D27E34 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-157.86

Dipole, Da:

1.61

IP(EA), eV:

 -8.95(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-methyl-3-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations