Geometry & MOs

Info

ID:

104695

PubChem CID:

50104897

Reduced:

BrO5N6C28H35 (1)

Stoich.:

AB5C6D28E35 (1)

Weight, g/mol:

648.287175

ΔHf, kcal/mol:

-199.59

Dipole, Da:

5.13

IP(EA), eV:

 -9.04(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations