Geometry & MOs

Info

ID:

95116

PubChem CID:

50006473

Reduced:

BrO5N6C35H49 (1)

Stoich.:

AB5C6D35E49 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-211.23

Dipole, Da:

3.63

IP(EA), eV:

 -8.99(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[5-chloro-2-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)Br)C(=O)N(C)C

DOS

IR

Vibrations