Geometry & MOs

Info

ID:

104906

PubChem CID:

50105912

Reduced:

BrO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-149.07

Dipole, Da:

3.84

IP(EA), eV:

 -9.1(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)N(C)C)C)Br

DOS

IR

Vibrations