Geometry & MOs

Info

ID:

117434

PubChem CID:

50602773

Reduced:

ClSO4N7C27H36 (1)

Stoich.:

ABC4D7E27F36 (1)

Weight, g/mol:

646.243724

ΔHf, kcal/mol:

-122.39

Dipole, Da:

10.48

IP(EA), eV:

 -8.92(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-chloro-4-(propanoylamino)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N(C)C)Cl

DOS

IR

Vibrations