Geometry & MOs

Info

ID:

117713

PubChem CID:

50612501

Reduced:

ClO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

598.267046

ΔHf, kcal/mol:

-221.72

Dipole, Da:

5.6

IP(EA), eV:

 -8.88(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N)Cl)NC(=O)C(C)C

DOS

IR

Vibrations