Geometry & MOs

Info

ID:

94296

PubChem CID:

49999428

Reduced:

ClO5N6C39H55 (1)

Stoich.:

AB5C6D39E55 (1)

Weight, g/mol:

734.392247

ΔHf, kcal/mol:

-254.33

Dipole, Da:

6.12

IP(EA), eV:

 -9.17(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(pyrrolidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4C)C)Cl

DOS

IR

Vibrations