Geometry & MOs

Info

ID:

95140

PubChem CID:

50006603

Reduced:

ClO5N6C37H53 (1)

Stoich.:

AB5C6D37E53 (1)

Weight, g/mol:

696.399919

ΔHf, kcal/mol:

-244.37

Dipole, Da:

9.4

IP(EA), eV:

 -8.89(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-[4-[(2-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N(CC)CC

DOS

IR

Vibrations